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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
289500 |
104358497 |
1 |
Br2Cl2O2H10C15 |
A2B2C2D10E15 |
-37.53 |
5.66 |
-9.11 |
-0.72 |
0 |
|
|
289501 |
104358596 |
1 |
ClF2Br3H6C13 |
AB2C3D6E13 |
-44.09 |
1.62 |
-9.88 |
-1.32 |
0 |
|
|
289502 |
104358599 |
1 |
BrCl2H11C17 |
AB2C11D17 |
49.89 |
3.19 |
-9.1 |
-0.81 |
0 |
|
|
289503 |
104358626 |
1 |
SBr2Cl2H6C11 |
AB2C2D6E11 |
42.01 |
1.46 |
-9.37 |
-1.3 |
0 |
|
|
289504 |
104358628 |
1 |
SCl2Br3H5C11 |
AB2C3D5E11 |
52.39 |
1.5 |
-9.5 |
-1.52 |
0 |
|
|
289505 |
104358648 |
1 |
OBr2Cl3H9C14 |
AB2C3D9E14 |
-13.05 |
4.04 |
-9.29 |
-1.14 |
0 |
|
|
289506 |
104358651 |
1 |
ClOBr2H15C16 |
ABC2D15E16 |
-9.77 |
3.91 |
-8.67 |
-0.89 |
0 |
|
|
289507 |
104358931 |
1 |
BrNOCl2H14C16 |
ABCD2E14F16 |
-9.7 |
1.89 |
-9.5 |
-1.02 |
0 |
|
|
289508 |
104359032 |
1 |
BrClON2C14H16 |
ABCD2E14F16 |
3.75 |
3.34 |
-9.28 |
-1.01 |
0 |
|
|
289509 |
104359048 |
1 |
BrClNOC9H11 |
ABCDE9F11 |
-32.97 |
1.14 |
-9.63 |
-0.54 |
0 |
|
|
289510 |
104359100 |
1 |
BrNSCl2O3C12H14 |
ABCD2E3F12G14 |
-122.59 |
6.91 |
-10.33 |
-1.92 |
0 |
|
|
289511 |
104359120 |
1 |
BrNSCl2O3C12H12 |
ABCD2E3F12G12 |
-87.79 |
4.79 |
-10.03 |
-1.85 |
0 |
|
|
289512 |
104359213 |
1 |
BrClSN2O3C13H16 |
ABCD2E3F13G16 |
-116.07 |
3.23 |
-10.02 |
-1.43 |
0 |
|
|
289513 |
104359281 |
1 |
BrClSN2O4C12H14 |
ABCD2E4F12G14 |
-141.63 |
1.82 |
-9.8 |
-1.56 |
0 |
|
|
289514 |
104359415 |
1 |
BrClNOH13C14 |
ABCDE13F14 |
-1.74 |
4.54 |
-9.88 |
-0.72 |
0 |
|
|
289515 |
104359428 |
1 |
BrNCl2H12C14 |
ABC2D12E14 |
29.99 |
3.12 |
-9.74 |
-0.68 |
0 |
|
|
289516 |
104359429 |
1 |
ClNOBr2H10C15 |
ABCD2E10F15 |
24.94 |
2.35 |
-9.04 |
-0.94 |
0 |
|
|
289517 |
104359440 |
1 |
BrClON2H8C10 |
ABCD2E8F10 |
19.93 |
1.77 |
-9.41 |
-0.99 |
0 |
|
|
289518 |
104359441 |
1 |
BrClON2H10C11 |
ABCD2E10F11 |
19.66 |
2.85 |
-9.3 |
-0.78 |
0 |
|
|
289519 |
104359442 |
1 |
BrClON2C12H12 |
ABCD2E12F12 |
10.6 |
1.61 |
-9.18 |
-1.03 |
0 |
|
|
289520 |
104359444 |
1 |
BrClON2H12C13 |
ABCD2E12F13 |
36.98 |
2.15 |
-9.01 |
-1.12 |
0 |
|
|
289521 |
104359445 |
1 |
BrClON2C14H16 |
ABCD2E14F16 |
-0.61 |
3.86 |
-9.02 |
-1.06 |
0 |
|
|
289522 |
104359446 |
1 |
BrClON2C14H16 |
ABCD2E14F16 |
0.95 |
1.59 |
-9.04 |
-1.06 |
0 |
|
|
289523 |
104359447 |
1 |
BrClN2O2C13H14 |
ABC2D2E13F14 |
-20.65 |
4.29 |
-9.32 |
-0.76 |
0 |
|
|
289524 |
104359448 |
1 |
BrClNO2H7C10 |
ABCD2E7F10 |
-25.27 |
2.9 |
-9.66 |
-1.26 |
0 |
|
|
289525 |
104359449 |
1 |
BrNOCl2H6C10 |
ABCD2E6F10 |
6.9 |
1.88 |
-9.73 |
-1.2 |
0 |
|
|
289526 |
104359450 |
1 |
ClNOBr2H6C10 |
ABCD2E6F10 |
17.44 |
2.89 |
-9.58 |
-1.24 |
0 |
|
|
289527 |
104359451 |
1 |
BrClNO3H7C14 |
ABCD3E7F14 |
-42.66 |
6.33 |
-9.89 |
-1.76 |
0 |
|
|
289528 |
104359452 |
1 |
BrClNO3H7C14 |
ABCD3E7F14 |
-43.39 |
5.68 |
-9.9 |
-1.84 |
0 |
|
|
289529 |
104359453 |
1 |
BrClNO3H7C14 |
ABCD3E7F14 |
-40.68 |
5.59 |
-9.88 |
-1.71 |
0 |
|
|
289530 |
104359454 |
1 |
BrClNO3H7C14 |
ABCD3E7F14 |
-39.81 |
7.02 |
-9.83 |
-1.62 |
0 |
|
|
289531 |
104359455 |
1 |
BrClON3H11C15 |
ABCD3E11F15 |
56.99 |
4.77 |
-9.75 |
-0.97 |
0 |
|
|
289532 |
104359457 |
1 |
BrClON3C12H13 |
ABCD3E12F13 |
9.02 |
5.14 |
-9.85 |
-0.91 |
0 |
|
|
289533 |
104359458 |
1 |
BrClON3C13H15 |
ABCD3E13F15 |
5.27 |
6.28 |
-9.82 |
-0.79 |
0 |
|
|
289534 |
104359459 |
1 |
BrClON3C11H11 |
ABCD3E11F11 |
18.19 |
5.85 |
-9.87 |
-0.85 |
0 |
|
|
289535 |
104359460 |
1 |
BrClON3H9C10 |
ABCD3E9F10 |
23.96 |
4.57 |
-9.81 |
-0.98 |
0 |
|
|
289536 |
104359461 |
1 |
BrClON3C13H15 |
ABCD3E13F15 |
5.7 |
5.14 |
-9.84 |
-0.91 |
0 |
|
|
289537 |
104359462 |
1 |
BrClN3H9C14 |
ABC3D9E14 |
104.37 |
5.95 |
-9.79 |
-1.04 |
0 |
|
|
289538 |
104359463 |
1 |
BrClN3C11H11 |
ABC3D11E11 |
58.06 |
6.65 |
-9.82 |
-0.88 |
0 |
|
|
289539 |
104359464 |
1 |
BrClN3H9C11 |
ABC3D9E11 |
93.21 |
5.85 |
-9.85 |
-0.99 |
0 |
|
|
289540 |
104359465 |
1 |
BrClN3H9C10 |
ABC3D9E10 |
66.23 |
6.33 |
-9.81 |
-0.94 |
0 |
|
|
289541 |
104359467 |
1 |
BrClN3H7C9 |
ABC3D7E9 |
73.26 |
6.06 |
-9.85 |
-0.97 |
0 |
|
|
289542 |
104359468 |
1 |
BrCl2N3H10C15 |
AB2C3D10E15 |
91.72 |
5.1 |
-9.77 |
-1.0 |
0 |
|
|
289543 |
104359469 |
1 |
BrOCl2N3C12H12 |
ABC2D3E12F12 |
19.06 |
6.37 |
-9.79 |
-0.89 |
0 |
|
|
289544 |
104359470 |
1 |
BrCl2N3C13H14 |
AB2C3D13E14 |
41.03 |
7.03 |
-9.84 |
-0.83 |
0 |
|
|
289545 |
104359472 |
1 |
BrCl2N3H8C10 |
AB2C3D8E10 |
59.51 |
5.81 |
-9.85 |
-1.01 |
0 |
|
|
289546 |
104359473 |
1 |
BrCl2N3C13H14 |
AB2C3D13E14 |
43.31 |
7.52 |
-9.73 |
-0.92 |
0 |
|
|
289547 |
104359475 |
1 |
ClBr2N3H10C12 |
AB2C3D10E12 |
87.9 |
6.07 |
-9.79 |
-1.05 |
0 |
|
|
289548 |
104359476 |
1 |
ClBr2N3C13H14 |
AB2C3D13E14 |
49.82 |
7.9 |
-9.74 |
-0.89 |
0 |
|
|
289549 |
104359477 |
1 |
ClBr2N3H10C11 |
AB2C3D10E11 |
61.67 |
6.71 |
-9.8 |
-1.03 |
0 |
|
|
289550 |
104359478 |
1 |
ClBr2N3C12H12 |
AB2C3D12E12 |
57.79 |
7.03 |
-9.74 |
-1.04 |
0 |
|
|
289551 |
104359480 |
1 |
ClBr2N3C13H14 |
AB2C3D13E14 |
50.27 |
6.63 |
-9.72 |
-1.03 |
0 |
|
|
289552 |
104359482 |
1 |
BrClSN4H6C9 |
ABCD4E6F9 |
88.25 |
8.51 |
-8.45 |
-1.5 |
0 |
|
|
289553 |
104359483 |
1 |
BrClON4H6C9 |
ABCD4E6F9 |
30.35 |
8.26 |
-9.99 |
-1.4 |
0 |
|
|
289554 |
104359484 |
1 |
BrClSN2H6C9 |
ABCD2E6F9 |
57.41 |
3.87 |
-8.94 |
-0.78 |
0 |
|
|
289555 |
104359485 |
1 |
BrClN4C13H16 |
ABC4D13E16 |
53.27 |
5.58 |
-9.69 |
-0.77 |
0 |
|
|
289556 |
104359487 |
1 |
BrClON4C12H14 |
ABCD4E12F14 |
29.59 |
5.36 |
-9.67 |
-0.75 |
0 |
|
|
289557 |
104359488 |
1 |
BrClN4C12H14 |
ABC4D12E14 |
54.93 |
6.25 |
-9.7 |
-0.92 |
0 |
|
|
289558 |
104359489 |
1 |
BrClN4C13H16 |
ABC4D13E16 |
49.64 |
7.05 |
-9.68 |
-0.81 |
0 |
|
|
289559 |
104359490 |
1 |
BrClN4C11H12 |
ABC4D11E12 |
64.33 |
5.58 |
-9.73 |
-0.78 |
0 |
|
|
289560 |
104359491 |
1 |
BrClN4C10H10 |
ABC4D10E10 |
70.69 |
4.92 |
-9.63 |
-0.85 |
0 |
|
|
289561 |
104359494 |
1 |
BrClN2H10C15 |
ABC2D10E15 |
86.13 |
4.91 |
-9.09 |
-0.96 |
0 |
|
|
289562 |
104359495 |
1 |
BrClSN2H8C13 |
ABCD2E8F13 |
90.64 |
5.1 |
-9.12 |
-1.04 |
0 |
|
|
289563 |
104359496 |
1 |
BrClN2H8C10 |
ABC2D8E10 |
54.44 |
4.82 |
-9.1 |
-0.91 |
0 |
|
|
289564 |
104359497 |
1 |
BrClN2C12H12 |
ABC2D12E12 |
46.04 |
5.73 |
-8.94 |
-0.91 |
0 |
|
|
289565 |
104359498 |
1 |
BrClN2H10C11 |
ABC2D10E11 |
49.63 |
4.88 |
-9.12 |
-0.93 |
0 |
|
|
289566 |
104359499 |
1 |
BrClN3H9C14 |
ABC3D9E14 |
96.69 |
6.32 |
-9.28 |
-1.13 |
0 |
|
|
289567 |
104359500 |
1 |
BrClN3H9C14 |
ABC3D9E14 |
96.05 |
5.79 |
-9.37 |
-1.16 |
0 |
|
|
289568 |
104359501 |
1 |
BrSCl2O2N3H4C8 |
ABC2D2E3F4G8 |
0.92 |
2.4 |
-9.87 |
-1.73 |
0 |
|
|
289569 |
104359502 |
1 |
BrSCl2N3O3H10C11 |
ABC2D3E3F10G11 |
-48.14 |
8.07 |
-10.15 |
-1.46 |
0 |
|
|
289570 |
104359503 |
1 |
BrSCl2O2N3H10C11 |
ABC2D2E3F10G11 |
-20.17 |
8.88 |
-10.21 |
-1.42 |
0 |
|
|
289571 |
104359504 |
1 |
BrSCl2O2N3H8C11 |
ABC2D2E3F8G11 |
16.76 |
8.16 |
-10.22 |
-1.43 |
0 |
|
|
289572 |
104359506 |
1 |
BrSCl2O2N3H8C10 |
ABC2D2E3F8G10 |
-12.4 |
8.22 |
-10.25 |
-1.43 |
0 |
|
|
289573 |
104359507 |
1 |
BrSCl2O2N3H10C11 |
ABC2D2E3F10G11 |
-17.11 |
8.48 |
-10.23 |
-1.41 |
0 |
|
|
289574 |
104359513 |
1 |
BrClSO2N4C12H14 |
ABCD2E4F12G14 |
-19.38 |
5.62 |
-10.01 |
-1.04 |
0 |
|
|
289575 |
104359583 |
1 |
BrNO4H12C15 |
ABC4D12E15 |
-94.43 |
5.7 |
-9.0 |
-0.98 |
0 |
|
|
289576 |
104359611 |
1 |
BrSO4H11C14 |
ABC4D11E14 |
-100.45 |
7.01 |
-9.1 |
-0.93 |
0 |
|
|
289577 |
104359619 |
1 |
ClSO3C15H17 |
ABC3D15E17 |
-111.6 |
2.67 |
-8.82 |
-0.46 |
0 |
|
|
289578 |
104359690 |
1 |
ClON3C15H22 |
ABC3D15E22 |
-24.72 |
3.91 |
-8.3 |
-0.07 |
0 |
|
|
289579 |
104359701 |
1 |
ClON2C14H21 |
ABC2D14E21 |
-35.89 |
4.64 |
-8.64 |
-0.15 |
0 |
|
|
289580 |
104359726 |
1 |
BrON2C16H25 |
ABC2D16E25 |
-32.56 |
4.22 |
-8.53 |
-0.01 |
0 |
|
|
289581 |
104359729 |
1 |
ClON2C16H25 |
ABC2D16E25 |
-42.78 |
3.38 |
-8.36 |
0.22 |
0 |
|
|
289582 |
104359747 |
1 |
BrOSN2C16H23 |
ABCD2E16F23 |
-26.29 |
4.33 |
-8.67 |
-0.05 |
0 |
|
|
289583 |
104359768 |
1 |
ClNOC17H18 |
ABCD17E18 |
-18.17 |
3.86 |
-7.98 |
-0.24 |
0 |
|
|
289584 |
104359806 |
1 |
BrClNOH15C16 |
ABCDE15F16 |
-8.02 |
5.45 |
-8.45 |
-0.42 |
0 |
|
|
289585 |
104359807 |
1 |
NOCl3H12C15 |
ABC3D12E15 |
-20.09 |
6.21 |
-8.46 |
-0.5 |
0 |
|
|
289586 |
104359857 |
1 |
BrNOC17H18 |
ABCD17E18 |
-7.41 |
4.05 |
-8.02 |
-0.28 |
0 |
|
|
289587 |
104359860 |
1 |
BrFNOH13C15 |
ABCDE13F15 |
-39.73 |
5.24 |
-8.53 |
-0.45 |
0 |
|
|
289588 |
104359879 |
1 |
BrNOC16H22 |
ABCD16E22 |
-38.12 |
3.61 |
-8.76 |
-0.05 |
0 |
|
|
289589 |
104359889 |
1 |
BrFNOH15C16 |
ABCDE15F16 |
-46.93 |
5.28 |
-8.38 |
-0.44 |
0 |
|
|
289590 |
104359890 |
1 |
BrN2O2C15H21 |
AB2C2D15E21 |
-54.1 |
4.7 |
-8.74 |
-0.21 |
0 |
|
|
289591 |
104359895 |
1 |
ClNOC17H18 |
ABCD17E18 |
-11.69 |
3.82 |
-8.47 |
-0.21 |
0 |
|
|
289592 |
104359898 |
1 |
BrON2C14H21 |
ABC2D14E21 |
-19.41 |
3.64 |
-8.69 |
-0.04 |
0 |
|
|
289593 |
104359899 |
1 |
BrON2C16H23 |
ABC2D16E23 |
-26.13 |
3.32 |
-8.68 |
0.03 |
0 |
|
|
289594 |
104359901 |
1 |
BrFNOH15C16 |
ABCDE15F16 |
-45.27 |
5.56 |
-8.31 |
-0.38 |
0 |
|
|
289595 |
104359904 |
1 |
ClNOC17H18 |
ABCD17E18 |
-15.93 |
4.02 |
-8.22 |
-0.3 |
0 |
|
|
289596 |
104359910 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-64.95 |
4.52 |
-8.74 |
-0.03 |
0 |
|
|
289597 |
104359918 |
1 |
NOBr2H15C16 |
ABC2D15E16 |
12.13 |
5.16 |
-8.91 |
-0.24 |
0 |
|
|
289598 |
104359942 |
1 |
NOCl2H15C16 |
ABC2D15E16 |
-19.69 |
4.61 |
-8.22 |
-0.32 |
0 |
|
|
289599 |
104359952 |
1 |
BrNOF2H12C15 |
ABCD2E12F15 |
-79.33 |
4.34 |
-8.68 |
-0.45 |
0 |