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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
406431 |
135077550 |
1 |
N2O4C15H17 |
A2B4C15D17 |
-85.67 |
6.65 |
0.0 |
0.0 |
0 |
|
|
406432 |
135077553 |
1 |
OSiS2C22H24 |
ABC2D22E24 |
-22.05 |
2.26 |
-8.37 |
-0.36 |
0 |
|
|
406434 |
135077580 |
1 |
O2N6C11H18 |
A2B6C11D18 |
-23.98 |
4.06 |
-9.85 |
-0.54 |
0 |
|
|
406435 |
135077582 |
1 |
ClN3C21H24 |
AB3C21D24 |
86.95 |
19.51 |
-6.84 |
-1.55 |
0 |
|
|
406436 |
135077583 |
1 |
ClO2N6C15H17 |
AB2C6D15E17 |
5.63 |
3.16 |
-9.93 |
-0.77 |
0 |
|
|
406437 |
135077594 |
1 |
LiZnCl3O4C24H28 |
ABC3D4E24F28 |
-50.78 |
12.49 |
-8.03 |
-1.54 |
0 |
|
|
406439 |
135077606 |
1 |
NSO4C13H13 |
ABC4D13E13 |
-122.68 |
7.27 |
-8.75 |
-0.59 |
0 |
|
|
406440 |
135077609 |
1 |
SN2F3O3C10H13 |
AB2C3D3E10F13 |
-265.57 |
9.08 |
-8.84 |
-0.72 |
0 |
|
|
406441 |
135077643 |
1 |
NSF3O3H14C16 |
ABC3D3E14F16 |
-191.6 |
5.92 |
-8.78 |
-0.94 |
0 |
|
|
406442 |
135077654 |
1 |
N2O4C35H36 |
A2B4C35D36 |
-74.22 |
7.94 |
-8.99 |
-0.33 |
0 |
|
|
406443 |
135077655 |
1 |
N4O5C40H44 |
A4B5C40D44 |
-130.49 |
6.21 |
-9.42 |
-0.35 |
0 |
|
|
406444 |
135077656 |
2 |
NO2C10H10 |
AB2C10D10 |
-104.62 |
3.36 |
-9.62 |
-0.48 |
1 |
|
|
406445 |
135077657 |
1 |
NO2C10H10 |
AB2C10D10 |
-10.84 |
1.3 |
0.0 |
0.0 |
0 |
|
|
406446 |
135077658 |
2 |
NOC6H7 |
ABC6D7 |
-67.8 |
4.83 |
-8.26 |
-0.1 |
0 |
|
|
406447 |
135077659 |
1 |
SiO2C8H16 |
AB2C8D16 |
-19.72 |
2.8 |
-8.87 |
0.02 |
0 |
|
|
406448 |
135077660 |
1 |
LiMgCl2H5C6 |
ABC2D5E6 |
-80.55 |
6.57 |
-9.69 |
-0.82 |
0 |
|
|
406449 |
135077661 |
1 |
FNSO4C19H20 |
ABCD4E19F20 |
-127.78 |
3.47 |
-9.44 |
-0.54 |
0 |
|
|
406450 |
135077662 |
1 |
BrNSO12C26H32 |
ABCD12E26F32 |
-513.56 |
8.79 |
-8.97 |
-1.0 |
0 |
|
|
406451 |
135077663 |
1 |
ClNSO12C26H32 |
ABCD12E26F32 |
-527.81 |
8.06 |
-8.91 |
-0.52 |
0 |
|
|
406452 |
135077664 |
1 |
FNSO11C24H30 |
ABCD11E24F30 |
-529.66 |
1.38 |
-9.04 |
-0.51 |
0 |
|
|
406453 |
135077665 |
4 |
OC3H5 |
AB3C5 |
-194.55 |
4.25 |
-9.93 |
0.31 |
0 |
|
|
406454 |
135077666 |
2 |
O3C7H11 |
A3B7C11 |
-272.92 |
6.94 |
-10.0 |
0.31 |
0 |
|
|
406455 |
135077667 |
1 |
ClO2C16H29 |
AB2C16D29 |
-147.83 |
2.7 |
-9.91 |
0.49 |
0 |
|
|
406456 |
135077668 |
1 |
SiO5C20H32 |
AB5C20D32 |
-220.14 |
3.5 |
-8.7 |
0.56 |
0 |
|
|
406457 |
135077669 |
1 |
O4C11H18 |
A4B11C18 |
-186.83 |
2.99 |
-9.64 |
0.14 |
0 |
|
|
406458 |
135077670 |
1 |
SiO4C19H28 |
AB4C19D28 |
-209.19 |
2.39 |
-8.95 |
-1.35 |
0 |
|
|
406459 |
135077671 |
1 |
NO2C16H21 |
AB2C16D21 |
-83.57 |
2.36 |
-9.66 |
0.07 |
0 |
|
|
406460 |
135077672 |
1 |
NO2C22H25 |
AB2C22D25 |
-58.5 |
2.37 |
-9.48 |
0.05 |
0 |
|
|
406461 |
135077673 |
1 |
NS2O6C30H31 |
AB2C6D30E31 |
-149.85 |
4.47 |
-8.88 |
-0.91 |
0 |
|
|
406462 |
135077674 |
1 |
ClSeO8C20H27 |
ABC8D20E27 |
-321.91 |
4.63 |
-8.6 |
-0.38 |
0 |
|
|
406463 |
135077675 |
1 |
SO7C27H30 |
AB7C27D30 |
-207.06 |
4.85 |
-9.38 |
-0.06 |
0 |
|
|
406464 |
135077676 |
1 |
SO7C27H30 |
AB7C27D30 |
-206.49 |
5.69 |
-9.64 |
-0.12 |
0 |
|
|
406465 |
135077677 |
1 |
SO7C27H30 |
AB7C27D30 |
-205.82 |
2.86 |
-9.3 |
-0.13 |
0 |
|
|
406466 |
135077678 |
1 |
SiO3C16H32 |
AB3C16D32 |
-201.1 |
2.47 |
-9.04 |
0.22 |
0 |
|
|
406467 |
135077679 |
1 |
N2O3F5H17C22 |
A2B3C5D17E22 |
-249.12 |
4.24 |
-8.9 |
-1.79 |
0 |
|
|
406468 |
135077680 |
1 |
NOH11C13 |
ABC11D13 |
41.36 |
0.59 |
-8.8 |
-0.42 |
0 |
|
|
406469 |
135077681 |
1 |
NSO2C18H21 |
ABC2D18E21 |
-48.95 |
4.75 |
-9.51 |
-0.16 |
0 |
|
|
406470 |
135077682 |
1 |
SN2O4C16H16 |
AB2C4D16E16 |
-40.28 |
5.86 |
-9.78 |
-1.73 |
0 |
|
|
406471 |
135077683 |
1 |
CrFO5C13H13 |
ABC5D13E13 |
-319.34 |
5.22 |
-10.0 |
-1.41 |
0 |
|
|
406472 |
135077686 |
1 |
CrNO4H17C24 |
ABC4D17E24 |
-12.89 |
4.69 |
-7.16 |
-1.03 |
0 |
|
|
406473 |
135077690 |
1 |
ClOSN2C11H13 |
ABCD2E11F13 |
25.86 |
5.21 |
-8.74 |
-0.5 |
0 |
|
|
406474 |
135077722 |
1 |
NO3C20H23 |
AB3C20D23 |
-91.42 |
3.65 |
-9.4 |
0.14 |
0 |
|
|
406475 |
135077726 |
1 |
ClON2F5H12C16 |
ABC2D5E12F16 |
-252.62 |
7.11 |
-9.8 |
-1.87 |
0 |
|
|
406476 |
135077732 |
2 |
SO3C7H11 |
AB3C7D11 |
-229.83 |
4.09 |
-9.05 |
-0.81 |
0 |
|
|
406477 |
135077738 |
1 |
NNaSO10C16H24 |
ABCD10E16F24 |
-433.28 |
17.03 |
-9.89 |
-0.46 |
0 |
|
|
406478 |
135077741 |
1 |
SN3O5H19C21 |
AB3C5D19E21 |
-29.46 |
7.48 |
-9.16 |
-1.36 |
0 |
|
|
406479 |
135077750 |
2 |
OC7H11 |
AB7C11 |
-109.26 |
3.49 |
-9.8 |
0.55 |
0 |
|
|
406480 |
135077752 |
1 |
NO4C16H19 |
AB4C16D19 |
-128.71 |
5.43 |
-9.19 |
-0.4 |
0 |
|
|
406481 |
135077755 |
1 |
NO3C15H23 |
AB3C15D23 |
-110.15 |
4.6 |
-10.05 |
0.06 |
0 |
|
|
406482 |
135077800 |
1 |
ON2C17H34 |
AB2C17D34 |
-84.07 |
2.43 |
-9.57 |
0.85 |
0 |
|
|
406483 |
135077803 |
1 |
SN5C15H15 |
AB5C15D15 |
92.66 |
5.59 |
-8.56 |
-1.12 |
0 |
|
|
406484 |
135077804 |
1 |
SN5H19C21 |
AB5C19D21 |
119.43 |
5.23 |
-8.56 |
-1.13 |
0 |
|
|
406485 |
135077805 |
1 |
ClIC16H28 |
ABC16D28 |
-40.27 |
2.59 |
-9.06 |
-0.49 |
0 |
|
|
406486 |
135077806 |
1 |
BrC20H21 |
AB20C21 |
50.12 |
2.14 |
-9.04 |
0.1 |
0 |
|
|
406487 |
135077807 |
1 |
ClN2O2C17H19 |
AB2C2D17E19 |
-61.22 |
6.26 |
-8.66 |
-0.11 |
0 |
|
|
406488 |
135077808 |
1 |
ClON2C13H19 |
ABC2D13E19 |
-67.16 |
4.97 |
-9.44 |
0.19 |
0 |
|
|
406489 |
135077809 |
1 |
ClSN2O4H13C15 |
ABC2D4E13F15 |
93.01 |
12.34 |
-9.73 |
-3.04 |
0 |
|
|
406490 |
135077810 |
1 |
NC21H23 |
AB21C23 |
101.09 |
1.3 |
-8.86 |
-0.14 |
0 |
|
|
406491 |
135077811 |
1 |
NSO2C16H21 |
ABC2D16E21 |
-10.13 |
6.22 |
-9.66 |
-0.43 |
0 |
|
|
406493 |
135077813 |
1 |
SeC5H5 |
AB5C5 |
50.71 |
1.0 |
0.0 |
0.0 |
0 |
|
|
406494 |
135077814 |
1 |
NSSiO3C20H31 |
ABCD3E20F31 |
-109.48 |
5.94 |
-8.74 |
-0.59 |
0 |
|
|
406495 |
135077815 |
1 |
Na2O5H10C11 |
A2B5C10D11 |
-270.8 |
17.06 |
-8.58 |
-0.23 |
0 |
|
|
406496 |
135077816 |
1 |
NSO3H23C24 |
ABC3D23E24 |
-48.9 |
5.43 |
-8.21 |
-0.32 |
0 |
|
|
406497 |
135077818 |
1 |
BrON3C25H28 |
ABC3D25E28 |
34.21 |
4.1 |
-8.08 |
0.03 |
0 |
|
|
406498 |
135077819 |
1 |
LiOC18H35 |
ABC18D35 |
-15.11 |
30.45 |
-4.48 |
-0.58 |
0 |
|
|
406499 |
135077820 |
1 |
ClNSO3C14H18 |
ABCD3E14F18 |
-81.35 |
2.86 |
-8.33 |
-0.43 |
0 |
|
|
406500 |
135077821 |
1 |
NSSiO2C28H37 |
ABCD2E28F37 |
10.71 |
4.93 |
-8.46 |
0.04 |
0 |
|
|
406501 |
135077822 |
1 |
OC15H18 |
AB15C18 |
11.11 |
2.07 |
-9.56 |
0.11 |
0 |
|
|
406502 |
135077823 |
1 |
ClOH13C17 |
ABC13D17 |
48.61 |
1.9 |
-9.43 |
-0.48 |
0 |
|
|
406503 |
135077824 |
1 |
O3C17H26 |
A3B17C26 |
-87.34 |
2.22 |
-9.59 |
0.63 |
0 |
|
|
406504 |
135077825 |
1 |
ClNOSiC11H24 |
ABCDE11F24 |
-113.9 |
2.42 |
-8.88 |
0.03 |
0 |
|
|
406505 |
135077826 |
1 |
O2N5H17C18 |
A2B5C17D18 |
79.05 |
5.1 |
-8.68 |
-1.35 |
0 |
|
|
406506 |
135077827 |
1 |
ON6C19H20 |
AB6C19D20 |
117.65 |
5.63 |
-8.26 |
-1.17 |
0 |
|
|
406507 |
135077828 |
1 |
ClNO2H12C16 |
ABC2D12E16 |
-17.28 |
1.02 |
-9.57 |
-1.19 |
0 |
|
|
406508 |
135077856 |
1 |
NO2C12H17 |
AB2C12D17 |
-12.96 |
3.19 |
-9.12 |
-0.23 |
0 |
|
|
406509 |
135077879 |
1 |
OSnS2C11H16 |
ABC2D11E16 |
-47.62 |
1.04 |
-8.19 |
-0.5 |
0 |
|
|
406510 |
135077887 |
1 |
ClO2N3H8C13 |
AB2C3D8E13 |
48.72 |
4.49 |
-9.14 |
-1.48 |
0 |
|
|
406511 |
135077906 |
1 |
NO3H15C17 |
AB3C15D17 |
-47.92 |
3.87 |
-9.24 |
-0.9 |
0 |
|
|
406512 |
135077907 |
1 |
O4C17H20 |
A4B17C20 |
-123.3 |
2.79 |
-9.74 |
-0.07 |
0 |
|
|
406513 |
135077934 |
1 |
CrNO4C18H23 |
ABC4D18E23 |
-135.04 |
5.36 |
-8.17 |
-0.16 |
0 |
|
|
406514 |
135077947 |
1 |
PN2O3H17C20 |
AB2C3D17E20 |
-1.38 |
4.45 |
-9.92 |
-1.5 |
0 |
|
|
406515 |
135077948 |
1 |
NOPH20C21 |
ABCD20E21 |
-6.29 |
3.42 |
-9.43 |
-0.08 |
0 |
|
|
406516 |
135077949 |
1 |
NPO2H20C21 |
ABC2D20E21 |
-37.26 |
2.76 |
-8.98 |
-0.12 |
0 |
|
|
406517 |
135077950 |
1 |
NOSF3C13H16 |
ABCD3E13F16 |
-171.79 |
2.58 |
-8.59 |
-0.35 |
0 |
|
|
406518 |
135077951 |
1 |
NSO2F3C13H16 |
ABC2D3E13F16 |
-203.9 |
3.81 |
-8.62 |
-0.52 |
0 |
|
|
406519 |
135077952 |
1 |
ClNOSF3C12H13 |
ABCDE3F12G13 |
-171.68 |
3.97 |
-8.81 |
-0.85 |
0 |
|
|
406520 |
135077953 |
1 |
SiO3C10H20 |
AB3C10D20 |
-189.63 |
2.15 |
-9.0 |
0.19 |
0 |
|
|
406521 |
135077954 |
1 |
BrMgOC4H9 |
ABCD4E9 |
-117.42 |
2.78 |
-9.94 |
-0.6 |
0 |
|
|
406522 |
135077955 |
1 |
ClSO2N4H27C32 |
ABC2D4E27F32 |
120.72 |
8.23 |
-7.92 |
-1.37 |
0 |
|
|
406523 |
135077956 |
2 |
NOC6H10 |
ABC6D10 |
-70.73 |
1.77 |
-10.13 |
-0.63 |
1 |
|
|
406524 |
135077957 |
1 |
N2O2C12H21 |
A2B2C12D21 |
-57.18 |
6.83 |
0.0 |
0.0 |
0 |
|
|
406525 |
135077958 |
1 |
O5C12H12 |
A5B12C12 |
-156.4 |
1.16 |
-9.02 |
-0.41 |
0 |
|
|
406526 |
135077959 |
1 |
SN5H11C16 |
AB5C11D16 |
131.07 |
4.71 |
-8.64 |
-1.15 |
0 |
|
|
406527 |
135077960 |
1 |
ClN4H9C13 |
AB4C9D13 |
125.74 |
3.41 |
-8.99 |
-1.23 |
0 |
|
|
406528 |
135077961 |
1 |
ClO2N4H15C16 |
AB2C4D15E16 |
43.7 |
4.28 |
-8.47 |
-1.25 |
0 |
|
|
406529 |
135077962 |
1 |
O2N4C17H18 |
A2B4C17D18 |
43.72 |
5.49 |
-8.34 |
-0.89 |
0 |
|
|
406530 |
135077963 |
1 |
ClFO2N4H14C16 |
ABC2D4E14F16 |
-1.87 |
5.38 |
-8.57 |
-1.3 |
0 |
|
|
406531 |
135077964 |
1 |
ClO2N4C19H21 |
AB2C4D19E21 |
28.55 |
4.41 |
-8.45 |
-1.25 |
0 |
|
|
406532 |
135077965 |
1 |
ON3H9C10 |
AB3C9D10 |
32.8 |
5.65 |
-9.23 |
-1.3 |
0 |
|
|
406533 |
135077966 |
1 |
O5C9H14 |
A5B9C14 |
-213.58 |
3.4 |
-10.04 |
0.0 |
0 |