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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
336410 |
127255417 |
1 |
BrH9C14 |
AB9C14 |
106.91 |
1.17 |
-9.05 |
-0.57 |
0 |
|
|
336411 |
127255418 |
1 |
ClNO2C5H8 |
ABC2D5E8 |
-104.97 |
5.86 |
-10.25 |
0.04 |
0 |
|
|
336412 |
127255419 |
1 |
ON2C9H12 |
AB2C9D12 |
43.49 |
2.02 |
-9.3 |
-0.27 |
0 |
|
|
336413 |
127255420 |
1 |
SiN5O6C47H49 |
AB5C6D47E49 |
-113.8 |
14.96 |
-8.79 |
-0.44 |
0 |
|
|
336414 |
127255421 |
1 |
SN2O5C28H32 |
AB2C5D28E32 |
-175.44 |
1.96 |
-8.06 |
-0.56 |
0 |
|
|
336415 |
127255422 |
1 |
FN2O2C21H25 |
AB2C2D21E25 |
-119.96 |
2.44 |
-8.15 |
-0.03 |
0 |
|
|
336416 |
127255423 |
1 |
ClC5N5H12 |
AB5C5D12 |
15.55 |
6.15 |
-9.11 |
0.0 |
0 |
|
|
336417 |
127255424 |
1 |
Cl2N2C7H10 |
A2B2C7D10 |
-22.03 |
4.65 |
-9.74 |
-1.03 |
0 |
|
|
336418 |
127255425 |
2 |
NO2C16H21 |
AB2C16D21 |
-128.94 |
2.68 |
-8.42 |
-0.16 |
0 |
|
|
336419 |
127255426 |
1 |
ON2C24H34 |
AB2C24D34 |
-22.94 |
4.05 |
-8.6 |
0.33 |
0 |
|
|
336420 |
127255427 |
1 |
N2O5C26H26 |
A2B5C26D26 |
-58.27 |
6.88 |
-8.87 |
-0.49 |
0 |
|
|
336421 |
127255428 |
1 |
ClO2N3C11H12 |
AB2C3D11E12 |
-58.38 |
7.33 |
-9.85 |
-1.25 |
0 |
|
|
336422 |
127255429 |
1 |
NO5C14H25 |
AB5C14D25 |
-243.78 |
1.44 |
-9.63 |
0.47 |
0 |
|
|
336423 |
127255430 |
1 |
Br2N2C7H10 |
A2B2C7D10 |
4.15 |
5.83 |
-8.96 |
-0.31 |
0 |
|
|
336424 |
127255431 |
1 |
BrF2N2H9C12 |
AB2C2D9E12 |
-41.49 |
5.7 |
-8.82 |
-0.33 |
0 |
|
|
336425 |
127255432 |
1 |
N2O3H20C24 |
A2B3C20D24 |
-6.36 |
3.93 |
-8.51 |
-1.26 |
0 |
|
|
336426 |
127255433 |
1 |
N3O4H23C24 |
A3B4C23D24 |
-21.35 |
2.73 |
-8.42 |
-0.97 |
0 |
|
|
336427 |
127255434 |
1 |
O2N3C4H7 |
A2B3C4D7 |
-77.42 |
5.41 |
-9.24 |
-0.26 |
0 |
|
|
336428 |
127255435 |
1 |
ClNO2C5H14 |
ABC2D5E14 |
-142.27 |
5.23 |
-9.77 |
1.8 |
0 |
|
|
336429 |
127255436 |
1 |
OCl2N2C5H8 |
AB2C2D5E8 |
-83.34 |
5.27 |
-9.22 |
-0.65 |
0 |
|
|
336430 |
127255437 |
1 |
FNO5H6C8 |
ABC5D6E8 |
-146.54 |
5.81 |
-10.2 |
-2.04 |
0 |
|
|
336431 |
127255438 |
1 |
OSF5H7C10 |
ABC5D7E10 |
-275.88 |
3.08 |
-9.95 |
-1.6 |
0 |
|
|
336432 |
127255439 |
1 |
ON3C5H5 |
AB3C5D5 |
60.39 |
3.55 |
-10.13 |
-0.97 |
0 |
|
|
336433 |
127255440 |
1 |
ClN2O3C8H9 |
AB2C3D8E9 |
-107.44 |
6.39 |
-9.62 |
-1.34 |
0 |
|
|
336434 |
127255441 |
1 |
ClFNO2C9H9 |
ABCD2E9F9 |
-123.97 |
4.41 |
-9.88 |
-0.68 |
0 |
|
|
336435 |
127255442 |
1 |
FNO3C10H12 |
ABC3D10E12 |
-155.38 |
5.88 |
-9.3 |
-0.24 |
0 |
|
|
336436 |
127255443 |
1 |
O3C8H12 |
A3B8C12 |
-130.24 |
3.6 |
-10.33 |
0.53 |
0 |
|
|
336437 |
127255444 |
1 |
ClN2C8H13 |
AB2C8D13 |
-11.59 |
3.97 |
-9.7 |
-0.24 |
0 |
|
|
336438 |
127255445 |
1 |
O5C15H16 |
A5B15C16 |
-128.85 |
5.78 |
-9.19 |
-1.89 |
0 |
|
|
336439 |
127255446 |
1 |
ClO5N6C23H33 |
AB5C6D23E33 |
-222.85 |
5.08 |
-9.45 |
-0.87 |
0 |
|
|
336440 |
127255447 |
1 |
ClN2C7H17 |
AB2C7D17 |
-49.82 |
2.49 |
-8.82 |
1.84 |
0 |
|
|
336441 |
127255448 |
1 |
CsFCl2N2C27H36 |
ABC2D2E27F36 |
-107.94 |
8.26 |
-8.35 |
-0.84 |
0 |
|
|
336442 |
127255449 |
1 |
ClON2C9H15 |
ABC2D9E15 |
-66.3 |
2.44 |
-8.77 |
0.05 |
0 |
|
|
336443 |
127255450 |
1 |
N2O7C32H36 |
A2B7C32D36 |
-250.92 |
3.93 |
-8.83 |
-0.38 |
0 |
|
|
336444 |
127255451 |
1 |
N2O7C32H34 |
A2B7C32D34 |
-240.3 |
1.87 |
-8.78 |
-0.33 |
0 |
|
|
336445 |
127255452 |
1 |
N2O7C31H34 |
A2B7C31D34 |
-233.58 |
1.7 |
-8.86 |
-0.42 |
0 |
|
|
336446 |
127255453 |
1 |
PtN3O5C6H17 |
AB3C5D6E17 |
-101.01 |
10.69 |
-8.79 |
-1.67 |
0 |
|
|
336448 |
127255455 |
1 |
BO6C12H13 |
AB6C12D13 |
-278.88 |
6.04 |
-9.02 |
-1.02 |
0 |
|
|
336449 |
127255456 |
1 |
ClIN2O2H6C8 |
ABC2D2E6F8 |
-34.39 |
3.63 |
-9.6 |
-2.03 |
0 |
|
|
336450 |
127255457 |
1 |
BrNH14C22 |
ABC14D22 |
100.68 |
2.84 |
-8.19 |
-0.93 |
0 |
|
|
336451 |
127255458 |
1 |
ClNBr2H10C18 |
ABC2D10E18 |
76.87 |
2.39 |
-8.66 |
-1.02 |
0 |
|
|
336452 |
127255459 |
1 |
BSO2H17C24 |
ABC2D17E24 |
-43.89 |
3.16 |
-8.45 |
-1.23 |
0 |
|
|
336453 |
127255460 |
1 |
BO2H23C32 |
AB2C23D32 |
-23.71 |
3.22 |
-8.43 |
-1.12 |
0 |
|
|
336454 |
127255461 |
1 |
BrH21C38 |
AB21C38 |
177.85 |
1.83 |
-8.81 |
-1.16 |
0 |
|
|
336455 |
127255462 |
1 |
BO2H23C38 |
AB2C23D38 |
22.86 |
2.74 |
-8.77 |
-1.14 |
0 |
|
|
336456 |
127255463 |
3 |
NH11C14 |
AB11C14 |
186.49 |
1.39 |
-7.74 |
-0.34 |
0 |
|
|
336457 |
127255464 |
1 |
BO2H17C26 |
AB2C17D26 |
-51.69 |
2.98 |
-8.4 |
-1.12 |
0 |
|
|
336458 |
127255465 |
1 |
ClN3H22C33 |
AB3C22D33 |
166.29 |
1.64 |
-9.23 |
-1.12 |
0 |
|
|
336459 |
127255466 |
1 |
BrH17C25 |
AB17C25 |
109.72 |
1.59 |
-8.84 |
-0.44 |
0 |
|
|
336460 |
127255467 |
1 |
BrINH9C14 |
ABCD9E14 |
88.32 |
4.55 |
-8.68 |
-0.77 |
0 |
|
|
336461 |
127255468 |
1 |
ClO2N3C8H18 |
AB2C3D8E18 |
-116.22 |
2.44 |
-9.68 |
0.61 |
0 |
|
|
336462 |
127255469 |
1 |
ClFNOC10H13 |
ABCDE10F13 |
-97.67 |
3.03 |
-9.19 |
-0.04 |
0 |
|
|
336463 |
127255470 |
1 |
ClN2C13H17 |
AB2C13D17 |
-6.57 |
3.81 |
-9.64 |
-1.08 |
0 |
|
|
336464 |
127255471 |
1 |
N2C13H16 |
A2B13C16 |
33.37 |
1.2 |
-9.27 |
-0.78 |
0 |
|
|
336465 |
127255472 |
2 |
ClNOH3C4 |
ABCD3E4 |
-53.98 |
7.23 |
-9.61 |
-1.57 |
0 |
|
|
336466 |
127255473 |
1 |
N2O2F3C14H15 |
A2B2C3D14E15 |
-202.45 |
4.49 |
-9.17 |
-0.89 |
0 |
|
|
336467 |
127255474 |
1 |
NOCl2C3H7 |
ABC2D3E7 |
-77.11 |
2.9 |
-10.47 |
0.21 |
0 |
|
|
336468 |
127255475 |
1 |
O2C11H20 |
A2B11C20 |
-119.68 |
4.18 |
-9.9 |
0.43 |
0 |
|
|
336469 |
127255476 |
1 |
ClNOC10H16 |
ABCD10E16 |
-80.86 |
1.37 |
-8.4 |
0.48 |
0 |
|
|
336470 |
127255477 |
1 |
SCl2N2C6H8 |
AB2C2D6E8 |
-8.66 |
4.41 |
-9.22 |
-1.03 |
0 |
|
|
336471 |
127255478 |
1 |
NO3C9H15 |
AB3C9D15 |
-120.68 |
1.69 |
-9.91 |
0.6 |
0 |
|
|
336472 |
127255479 |
1 |
O3C7H10 |
A3B7C10 |
-100.63 |
3.43 |
-10.18 |
1.42 |
0 |
|
|
336473 |
127255480 |
1 |
BNSO5C11H18 |
ABCD5E11F18 |
-259.59 |
4.69 |
-9.35 |
-0.68 |
0 |
|
|
336474 |
127255481 |
1 |
ClN7C11H18 |
AB7C11D18 |
35.81 |
3.26 |
-8.43 |
-0.06 |
0 |
|
|
336475 |
127255482 |
1 |
ClO2N3C8H8 |
AB2C3D8E8 |
-9.63 |
4.62 |
-8.81 |
-0.99 |
0 |
|
|
336476 |
127255483 |
1 |
ClO3H9C11 |
AB3C9D11 |
-105.72 |
4.2 |
-9.88 |
-1.03 |
0 |
|
|
336477 |
127255484 |
1 |
O3H10C14 |
A3B10C14 |
-84.92 |
4.26 |
-9.42 |
-0.7 |
0 |
|
|
336478 |
127255485 |
1 |
ClNF3O3C9H9 |
ABC3D3E9F9 |
-297.53 |
2.49 |
-10.2 |
-1.0 |
0 |
|
|
336479 |
127255486 |
1 |
ClNF2O2C9H10 |
ABC2D2E9F10 |
-189.82 |
4.82 |
-9.93 |
-0.53 |
0 |
|
|
336480 |
127255487 |
1 |
ClNO2F3C9H9 |
ABC2D3E9F9 |
-255.9 |
2.03 |
-10.32 |
-1.36 |
0 |
|
|
336481 |
127255488 |
1 |
BrN2C12H13 |
AB2C12D13 |
24.57 |
3.18 |
-8.45 |
-0.79 |
0 |
|
|
336482 |
127255489 |
1 |
BrSN2O2H9C16 |
ABC2D2E9F16 |
16.65 |
2.14 |
-8.82 |
-1.86 |
0 |
|
|
336483 |
127255490 |
1 |
OI2C10H10 |
AB2C10D10 |
3.07 |
2.68 |
-9.43 |
-1.14 |
0 |
|
|
336484 |
127255491 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-105.74 |
8.32 |
-9.36 |
0.21 |
0 |
|
|
336485 |
127255492 |
1 |
ClNOC12H14 |
ABCD12E14 |
-42.18 |
3.29 |
-8.86 |
-0.43 |
0 |