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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
275500 |
103816458 |
1 |
BrClON2H8C12 |
ABCD2E8F12 |
20.47 |
6.23 |
-9.29 |
-1.04 |
0 |
|
|
275501 |
103816459 |
1 |
ClOBr2N3H6C11 |
ABC2D3E6F11 |
35.93 |
4.0 |
-9.51 |
-1.54 |
0 |
|
|
275502 |
103816460 |
1 |
BrClON2H12C14 |
ABCD2E12F14 |
-1.52 |
7.04 |
-9.2 |
-0.91 |
0 |
|
|
275503 |
103816464 |
1 |
BrClON2H12C14 |
ABCD2E12F14 |
1.05 |
6.14 |
-9.25 |
-0.92 |
0 |
|
|
275504 |
103816466 |
1 |
BrClN2O2H12C14 |
ABC2D2E12F14 |
-28.51 |
6.38 |
-9.24 |
-0.99 |
0 |
|
|
275505 |
103816468 |
1 |
ClOSBr2N2H5C10 |
ABCD2E2F5G10 |
32.1 |
6.62 |
-9.29 |
-1.7 |
0 |
|
|
275506 |
103816469 |
1 |
BrClOSN3H7C10 |
ABCDE3F7G10 |
23.93 |
7.67 |
-9.2 |
-1.37 |
0 |
|
|
275507 |
103816474 |
1 |
BrClON4H6C10 |
ABCD4E6F10 |
45.89 |
5.47 |
-9.41 |
-1.8 |
0 |
|
|
275508 |
103816475 |
1 |
BrClOSN2H6C10 |
ABCDE2F6G10 |
26.5 |
6.48 |
-9.28 |
-1.46 |
0 |
|
|
275509 |
103816477 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-49.66 |
4.24 |
-9.3 |
-1.18 |
0 |
|
|
275510 |
103816479 |
1 |
BrClON2H12C14 |
ABCD2E12F14 |
2.44 |
5.95 |
-9.26 |
-0.94 |
0 |
|
|
275511 |
103816481 |
1 |
BrClN2O2C11H12 |
ABC2D2E11F12 |
-60.86 |
4.63 |
-9.36 |
-1.03 |
0 |
|
|
275512 |
103816485 |
1 |
BrClN2O2H6C10 |
ABC2D2E6F10 |
-12.04 |
6.01 |
-9.28 |
-1.08 |
0 |
|
|
275513 |
103816486 |
1 |
BrClOSN3H7C10 |
ABCDE3F7G10 |
24.7 |
5.11 |
-9.32 |
-1.67 |
0 |
|
|
275514 |
103816489 |
1 |
BrOCl2N2H7C12 |
ABC2D2E7F12 |
11.55 |
5.2 |
-9.39 |
-1.23 |
0 |
|
|
275515 |
103816493 |
1 |
BrCl2N2O2H9C13 |
AB2C2D2E9F13 |
-26.81 |
3.85 |
-9.46 |
-1.14 |
0 |
|
|
275516 |
103816494 |
1 |
BrClN2O3H12C14 |
ABC2D3E12F14 |
-54.7 |
6.78 |
-8.98 |
-0.97 |
0 |
|
|
275517 |
103816495 |
1 |
BrClN3O3H9C13 |
ABC3D3E9F13 |
7.43 |
3.78 |
-9.52 |
-1.83 |
0 |
|
|
275518 |
103816496 |
1 |
BrFOCl2N2H6C12 |
ABCD2E2F6G12 |
-35.46 |
4.95 |
-9.38 |
-1.35 |
0 |
|
|
275519 |
103816498 |
1 |
BrClN2O2H12C14 |
ABC2D2E12F14 |
-30.9 |
8.13 |
-9.24 |
-0.86 |
0 |
|
|
275520 |
103816499 |
1 |
BrOSCl2N2H5C10 |
ABCD2E2F5G10 |
23.78 |
5.35 |
-9.36 |
-1.57 |
0 |
|
|
275521 |
103816503 |
1 |
BrClF2N2O2H8C13 |
ABC2D2E2F8G13 |
-127.17 |
8.31 |
-9.17 |
-1.29 |
0 |
|
|
275522 |
103816504 |
1 |
BrClOSN2H12C13 |
ABCDE2F12G13 |
6.51 |
4.99 |
-9.28 |
-1.0 |
0 |
|
|
275523 |
103816506 |
1 |
BrClON2C11H14 |
ABCD2E11F14 |
-35.17 |
5.9 |
-9.26 |
-0.92 |
0 |
|
|
275524 |
103816508 |
1 |
BrClFN2O2H9C13 |
ABCD2E2F9G13 |
-67.5 |
8.49 |
-9.18 |
-1.14 |
0 |
|
|
275525 |
103816509 |
1 |
BrClN2O2H8C11 |
ABC2D2E8F11 |
-20.5 |
6.51 |
-9.23 |
-1.12 |
0 |
|
|
275526 |
103816510 |
1 |
BrClON2C10H12 |
ABCD2E10F12 |
-28.82 |
5.95 |
-9.23 |
-0.9 |
0 |
|
|
275527 |
103816511 |
1 |
BrClON3H7C11 |
ABCD3E7F11 |
30.89 |
7.1 |
-9.26 |
-1.4 |
0 |
|
|
275528 |
103816514 |
1 |
BrClON2F3H7C13 |
ABCD2E3F7G13 |
-137.74 |
7.33 |
-9.4 |
-1.35 |
0 |
|
|
275529 |
103816515 |
1 |
BrClFON2H7C12 |
ABCDE2F7G12 |
-23.9 |
6.71 |
-9.29 |
-1.34 |
0 |
|
|
275530 |
103816517 |
1 |
BrClON2H10C13 |
ABCD2E10F13 |
9.97 |
6.08 |
-9.26 |
-0.95 |
0 |
|
|
275531 |
103816518 |
1 |
BrClN3O3H9C13 |
ABC3D3E9F13 |
8.1 |
1.58 |
-9.57 |
-1.94 |
0 |
|
|
275532 |
103816522 |
1 |
BrClON3H7C13 |
ABCD3E7F13 |
53.91 |
5.06 |
-9.48 |
-1.44 |
0 |
|
|
275533 |
103816524 |
1 |
BrClOF2N2H6C12 |
ABCD2E2F6G12 |
-68.79 |
5.68 |
-9.4 |
-1.61 |
0 |
|
|
275534 |
103816529 |
1 |
BrClON2C10H12 |
ABCD2E10F12 |
-29.73 |
6.87 |
-9.26 |
-0.86 |
0 |
|
|
275535 |
103816535 |
1 |
BrClFON2H9C13 |
ABCDE2F9G13 |
-36.18 |
4.83 |
-9.37 |
-1.03 |
0 |
|
|
275536 |
103816540 |
1 |
BrClOF2N2H6C12 |
ABCD2E2F6G12 |
-69.56 |
3.81 |
-9.47 |
-1.39 |
0 |
|
|
275537 |
103816541 |
1 |
BrClON3H9C12 |
ABCD3E9F12 |
19.84 |
6.18 |
-9.34 |
-1.18 |
0 |
|
|
275538 |
103816543 |
1 |
BrClN3O3H9C13 |
ABC3D3E9F13 |
7.54 |
0.94 |
-9.57 |
-2.02 |
0 |
|
|
275539 |
103816545 |
1 |
BrN3O4H10C13 |
AB3C4D10E13 |
-35.57 |
7.93 |
-9.51 |
-1.81 |
0 |
|
|
275540 |
103816546 |
1 |
BrN2O5C11H13 |
AB2C5D11E13 |
-106.63 |
7.6 |
-9.72 |
-1.69 |
0 |
|
|
275541 |
103816547 |
1 |
BrION5H7C9 |
ABCD5E7F9 |
95.24 |
5.63 |
-9.77 |
-1.56 |
0 |
|
|
275542 |
103816548 |
1 |
O2N6C9H10 |
A2B6C9D10 |
28.57 |
4.42 |
-9.47 |
-1.05 |
0 |
|
|
275543 |
103816549 |
1 |
FO2N5C10H10 |
AB2C5D10E10 |
-16.3 |
6.75 |
-9.52 |
-0.63 |
0 |
|
|
275544 |
103816550 |
1 |
ClN2O3C14H19 |
AB2C3D14E19 |
-133.58 |
3.77 |
-9.98 |
-0.76 |
0 |
|
|
275545 |
103816552 |
1 |
BrION2C11H12 |
ABCD2E11F12 |
1.76 |
3.02 |
-9.59 |
-1.4 |
0 |
|
|
275546 |
103816553 |
1 |
FON2C12H15 |
ABC2D12E15 |
-76.46 |
4.27 |
-9.47 |
-0.35 |
0 |
|
|
275547 |
103816554 |
1 |
FION2C11H12 |
ABCD2E11F12 |
-49.03 |
3.54 |
-9.44 |
-1.49 |
0 |
|
|
275548 |
103816559 |
1 |
OSCl2N2C9H10 |
ABC2D2E9F10 |
-15.71 |
3.62 |
-9.48 |
-1.12 |
0 |
|
|
275549 |
103816560 |
1 |
ON2C10H18 |
AB2C10D18 |
-52.52 |
3.19 |
-9.37 |
1.12 |
0 |
|
|
275550 |
103816562 |
1 |
FON3C10H12 |
ABC3D10E12 |
-52.56 |
3.31 |
-9.76 |
-0.96 |
0 |
|
|
275551 |
103816565 |
1 |
ClION2C11H12 |
ABCD2E11F12 |
-10.27 |
3.03 |
-9.59 |
-1.36 |
0 |
|
|
275552 |
103816568 |
3 |
NOC4H5 |
ABC4D5 |
-32.9 |
6.36 |
-9.75 |
-1.46 |
0 |
|
|
275553 |
103816571 |
1 |
ON2F4C7H10 |
AB2C4D7E10 |
-243.68 |
3.38 |
-10.07 |
-0.04 |
0 |
|
|
275554 |
103816575 |
1 |
SN2O3C8H16 |
AB2C3D8E16 |
-142.09 |
1.68 |
-9.67 |
0.34 |
0 |
|
|
275555 |
103816581 |
1 |
OSN3C10H15 |
ABC3D10E15 |
-26.98 |
5.39 |
-9.34 |
-0.73 |
0 |
|
|
275556 |
103816585 |
1 |
N2O3C9H18 |
A2B3C9D18 |
-129.21 |
3.64 |
-9.4 |
0.8 |
0 |
|
|
275557 |
103816588 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-63.31 |
5.09 |
-9.2 |
-0.67 |
0 |
|
|
275558 |
103816592 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-76.39 |
7.91 |
-9.05 |
-0.73 |
0 |
|
|
275559 |
103816593 |
2 |
NOC4H8 |
ABC4D8 |
-94.94 |
2.41 |
-9.3 |
0.99 |
0 |
|
|
275560 |
103816594 |
1 |
ClON2C12H15 |
ABC2D12E15 |
-38.26 |
3.95 |
-9.47 |
-0.44 |
0 |
|
|
275561 |
103816602 |
1 |
NOC14H17 |
ABC14D17 |
-0.04 |
2.95 |
-9.67 |
-0.1 |
0 |
|
|
275562 |
103816608 |
1 |
NO4C19H25 |
AB4C19D25 |
-164.32 |
5.78 |
-9.75 |
-0.28 |
0 |
|
|
275563 |
103816611 |
1 |
NO4C26H27 |
AB4C26D27 |
-103.54 |
5.08 |
-8.99 |
-0.54 |
0 |
|
|
275564 |
103816617 |
1 |
BrFON2H10C13 |
ABCD2E10F13 |
-32.1 |
5.31 |
-9.08 |
-1.07 |
0 |
|
|
275565 |
103816618 |
1 |
BrClON2H10C13 |
ABCD2E10F13 |
0.42 |
4.8 |
-8.93 |
-1.23 |
0 |
|
|
275566 |
103816622 |
1 |
BrN3O4C14H18 |
AB3C4D14E18 |
-77.48 |
4.05 |
-9.34 |
-1.68 |
0 |
|
|
275567 |
103816623 |
1 |
BrN3O3C12H16 |
AB3C3D12E16 |
-44.33 |
6.47 |
-9.77 |
-1.7 |
0 |
|
|
275568 |
103816624 |
1 |
BrN2O2C18H27 |
AB2C2D18E27 |
-118.17 |
3.74 |
-8.71 |
-0.02 |
0 |
|
|
275569 |
103816625 |
1 |
BrN2O2C17H25 |
AB2C2D17E25 |
-103.4 |
2.23 |
-8.26 |
0.0 |
0 |
|
|
275570 |
103816626 |
1 |
BrN2O2C18H27 |
AB2C2D18E27 |
-119.32 |
1.33 |
-8.78 |
-0.02 |
0 |
|
|
275571 |
103816627 |
1 |
BrN2O2C18H27 |
AB2C2D18E27 |
-124.05 |
3.2 |
-8.73 |
0.01 |
0 |
|
|
275572 |
103816633 |
1 |
BrNO2F3C14H17 |
ABC2D3E14F17 |
-239.72 |
4.69 |
-9.76 |
-1.35 |
0 |
|
|
275573 |
103816637 |
1 |
BrN2O2F3H12C13 |
AB2C2D3E12F13 |
-225.15 |
4.6 |
-9.87 |
-1.46 |
0 |
|
|
275574 |
103816639 |
1 |
BrNO2F3C14H15 |
ABC2D3E14F15 |
-209.06 |
3.44 |
-9.78 |
-1.25 |
0 |