List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4413 |
11371 |
1 |
NO4H11C14 |
AB4C11D14 |
-123.41 |
6.35 |
-9.23 |
-1.16 |
0 |
|
|
4414 |
11373 |
1 |
N2H8C9 |
A2B8C9 |
47.95 |
3.18 |
-8.48 |
-0.6 |
0 |
|
|
4415 |
11374 |
1 |
NOH7C9 |
ABC7D9 |
6.15 |
0.8 |
-8.97 |
-0.83 |
0 |
|
|
4416 |
11375 |
1 |
N2H8C9 |
A2B8C9 |
49.31 |
2.99 |
-8.61 |
-0.61 |
0 |
|
|
4417 |
11377 |
1 |
N2H8C9 |
A2B8C9 |
47.27 |
2.92 |
-8.54 |
-0.57 |
0 |
|
|
4418 |
11378 |
1 |
NOH7C9 |
ABC7D9 |
11.14 |
7.75 |
-8.56 |
-1.2 |
0 |
|
|
4419 |
11379 |
1 |
N2H8C9 |
A2B8C9 |
47.02 |
2.31 |
-8.66 |
-0.54 |
0 |
|
|
4420 |
11380 |
1 |
ClN5C11H20 |
AB5C11D20 |
15.93 |
4.73 |
-9.09 |
0.0 |
0 |
|
|
4421 |
11381 |
1 |
OH10C12 |
AB10C12 |
1.52 |
1.58 |
-9.04 |
-0.22 |
0 |
|
|
4422 |
11382 |
2 |
NOH6C9 |
ABC6D9 |
89.36 |
3.66 |
-9.15 |
-0.56 |
0 |
|
|
4423 |
11386 |
12 |
CH |
AB |
21.49 |
1.45 |
-8.66 |
-0.23 |
0 |
|
|
4424 |
11388 |
2 |
NC5H6 |
AB5C6 |
45.5 |
4.02 |
-9.34 |
0.01 |
0 |
|
|
4426 |
11392 |
1 |
NO2H7C10 |
AB2C7D10 |
34.53 |
5.89 |
-9.64 |
-1.56 |
0 |
|
|
4427 |
11393 |
2 |
OH5C6 |
AB5C6 |
-52.01 |
5.13 |
-9.3 |
-0.88 |
0 |
|
|
4428 |
11395 |
2 |
NH7C10 |
AB7C10 |
128.16 |
0.29 |
-8.7 |
-1.17 |
0 |
|
|
4429 |
11396 |
12 |
CH |
AB |
19.98 |
0.35 |
-8.64 |
-0.22 |
0 |
|
|
4430 |
11397 |
2 |
OH4C5 |
AB4C5 |
-50.59 |
3.44 |
-8.81 |
-0.61 |
0 |
|
|
4431 |
11398 |
1 |
NC9H13 |
AB9C13 |
13.47 |
1.55 |
-9.38 |
0.38 |
0 |
|
|
4432 |
11399 |
1 |
KO2H5C7 |
AB2C5D7 |
-100.46 |
7.28 |
-9.03 |
0.35 |
0 |
|
|
4433 |
11400 |
1 |
NO2C9H11 |
AB2C9D11 |
-70.74 |
2.15 |
-8.76 |
-0.52 |
0 |
|
|
4434 |
11402 |
1 |
FNOC12H18 |
ABCD12E18 |
-94.61 |
4.78 |
-9.36 |
0.01 |
0 |
|
|
4435 |
11404 |
1 |
FNOC12H18 |
ABCD12E18 |
-86.5 |
4.66 |
-9.4 |
-0.03 |
0 |
|
|
4436 |
11405 |
1 |
NOC10H15 |
ABC10D15 |
-35.32 |
2.11 |
-8.84 |
0.2 |
0 |
|
|
4437 |
11406 |
2 |
OC5H5 |
AB5C5 |
-44.42 |
2.21 |
-10.08 |
-0.63 |
0 |
|
|
4439 |
11410 |
1 |
SN2H6C7 |
AB2C6D7 |
54.91 |
4.26 |
-8.81 |
-0.43 |
0 |
|
|
4440 |
11411 |
1 |
OSN2H8C10 |
ABC2D8E10 |
38.7 |
4.98 |
-9.27 |
-1.26 |
0 |
|
|
4441 |
11414 |
2 |
BrH2C3 |
AB2C3 |
29.98 |
2.46 |
-9.76 |
-0.53 |
0 |
|
|
4442 |
11415 |
1 |
BrIH4C6 |
ABC4D6 |
44.71 |
2.3 |
-9.59 |
-1.16 |
0 |
|
|
4443 |
11417 |
1 |
NC7H9 |
AB7C9 |
15.34 |
3.4 |
-9.6 |
0.05 |
0 |
|
|
4444 |
11418 |
1 |
OC7H14 |
AB7C14 |
-78.11 |
2.3 |
-10.1 |
2.97 |
0 |
|
|
4445 |
11419 |
1 |
OC7H12 |
AB7C12 |
-64.19 |
3.66 |
-9.75 |
0.77 |
0 |
|
|
4446 |
11421 |
2 |
OH2C3 |
AB2C3 |
-22.28 |
5.52 |
-9.84 |
-1.96 |
0 |
|
|
4447 |
11422 |
1 |
BrNC7H8 |
ABC7D8 |
10.82 |
2.07 |
-8.41 |
0.02 |
0 |
|
|
4448 |
11423 |
1 |
BrNC7H8 |
ABC7D8 |
15.25 |
3.5 |
-8.54 |
0.06 |
0 |
|
|
4449 |
11424 |
2 |
OC4H4 |
AB4C4 |
-6.42 |
3.91 |
-9.39 |
-1.07 |
0 |
|
|
4450 |
11425 |
2 |
IOC12H22 |
ABC12D22 |
-158.72 |
4.7 |
-9.11 |
-1.16 |
0 |
|
|
4451 |
11426 |
2 |
NSO2C5H10 |
ABC2D5E10 |
-189.42 |
2.69 |
-9.35 |
-1.43 |
0 |
|
|
4452 |
11427 |
1 |
SO3C5H10 |
AB3C5D10 |
-142.59 |
3.34 |
-9.24 |
0.14 |
0 |
|
|
4453 |
11429 |
2 |
OC2H5 |
AB2C5 |
-110.06 |
3.18 |
-10.27 |
2.25 |
0 |
|
|
4454 |
11430 |
1 |
CK2O3 |
AB2C3 |
-191.33 |
13.6 |
-7.6 |
0.79 |
0 |
|
|
4455 |
11431 |
1 |
CRb2O3 |
AB2C3 |
-184.2 |
10.01 |
-8.37 |
1.76 |
0 |
|
|
4456 |
11432 |
2 |
CH2N2 |
AB2C2 |
77.3 |
6.5 |
-10.2 |
-0.25 |
0 |
|
|
4457 |
11434 |
1 |
HgOC14H21 |
ABC14D21 |
-23.6 |
1.83 |
0.0 |
0.0 |
0 |
|
|
4458 |
11435 |
1 |
SN2O2C5H6 |
AB2C2D5E6 |
-55.8 |
5.07 |
-9.79 |
-1.01 |
0 |
|
|
4459 |
11436 |
1 |
NaN3O5H8C13 |
AB3C5D8E13 |
-86.27 |
14.3 |
-8.69 |
-1.29 |
0 |
|
|
4460 |
11439 |
1 |
NO2C4H5 |
AB2C4D5 |
-91.79 |
2.94 |
-10.86 |
-0.21 |
0 |
|
|
4461 |
11440 |
1 |
O3C11H14 |
A3B11C14 |
-134.7 |
5.08 |
-9.47 |
-0.54 |
0 |
|
|
4462 |
11442 |
1 |
O3C19H26 |
A3B19C26 |
-110.11 |
5.26 |
-9.25 |
-0.29 |
0 |
|
|
4463 |
11443 |
1 |
N2O2H6C9 |
A2B2C6D9 |
-21.52 |
2.79 |
-9.21 |
-0.81 |
0 |
|
|
4464 |
11444 |
1 |
O3N4C10H16 |
A3B4C10D16 |
-107.32 |
4.52 |
-9.69 |
0.12 |
0 |
|
|
4465 |
11447 |
2 |
C4H9 |
A4B9 |
-45.62 |
0.11 |
-10.67 |
4.16 |
0 |
|
|
4466 |
11449 |
2 |
OC4H7 |
AB4C7 |
-96.67 |
0.34 |
-9.78 |
-0.78 |
0 |
|
|
4467 |
11450 |
1 |
OC10H14 |
AB10C14 |
-45.67 |
2.18 |
-8.92 |
0.31 |
0 |
|
|
4468 |
11454 |
1 |
BrC8H9 |
AB8C9 |
11.74 |
2.31 |
-9.54 |
-0.49 |
0 |
|
|
4469 |
11455 |
1 |
OC9H10 |
AB9C10 |
-27.49 |
4.13 |
-9.57 |
-0.5 |
0 |
|
|
4470 |
11456 |
1 |
BrO2H5C7 |
AB2C5D7 |
-55.18 |
4.94 |
-10.22 |
-1.12 |
0 |
|
|
4471 |
11457 |
1 |
BrNO2H4C6 |
ABC2D4E6 |
22.39 |
4.55 |
-10.37 |
-1.67 |
0 |
|
|
4472 |
11459 |
1 |
N2H4O5C6 |
A2B4C5D6 |
-23.93 |
4.71 |
-10.6 |
-2.36 |
0 |
|
|
4473 |
11460 |
1 |
O2C9H10 |
A2B9C10 |
-58.12 |
1.7 |
-9.09 |
-0.6 |
0 |
|
|
4474 |
11465 |
1 |
BrNC8H10 |
ABC8D10 |
25.02 |
4.07 |
-8.33 |
0.16 |
0 |
|
|
4475 |
11466 |
1 |
BrNO2H4C6 |
ABC2D4E6 |
21.87 |
3.79 |
-10.51 |
-1.72 |
0 |
|
|
4476 |
11467 |
1 |
OC10H18 |
AB10C18 |
-78.91 |
2.39 |
-8.98 |
1.45 |
0 |
|
|
4477 |
11469 |
1 |
NO4C6H7 |
AB4C6D7 |
-46.03 |
6.0 |
-10.21 |
-1.38 |
0 |
|
|
4478 |
11470 |
1 |
O3H8C9 |
A3B8C9 |
-98.84 |
3.66 |
-10.63 |
-1.41 |
0 |
|
|
4479 |
11471 |
2 |
NO2H5C7 |
AB2C5D7 |
-66.8 |
3.66 |
-9.85 |
-2.05 |
0 |
|
|
4480 |
11472 |
1 |
NOC6H7 |
ABC6D7 |
-13.61 |
1.81 |
-10.27 |
-0.35 |
0 |
|
|
4481 |
11473 |
1 |
NOH5C6 |
ABC5D6 |
47.15 |
3.26 |
-9.25 |
-1.36 |
0 |
|
|
4482 |
11474 |
1 |
NOC6H7 |
ABC6D7 |
-14.02 |
3.95 |
-9.93 |
-0.42 |
0 |
|
|
4483 |
11476 |
1 |
OC8H10 |
AB8C10 |
-33.44 |
2.75 |
-9.52 |
0.01 |
0 |
|
|
4484 |
11477 |
1 |
ClOH5C7 |
ABC5D7 |
-12.08 |
3.84 |
-9.88 |
-1.06 |
0 |
|
|
4485 |
11478 |
1 |
O3N4C14H20 |
A3B4C14D20 |
-21.0 |
9.66 |
-6.2 |
-1.55 |
0 |
|
|
4486 |
11479 |
1 |
NO3C9H11 |
AB3C9D11 |
-105.55 |
3.33 |
-10.06 |
-0.37 |
0 |
|
|
4487 |
11480 |
1 |
ClON2C9H11 |
ABC2D9E11 |
-30.42 |
6.08 |
-8.99 |
-0.12 |
0 |
|
|
4488 |
11481 |
1 |
BrN2O2C15H17 |
AB2C2D15E17 |
-40.4 |
6.17 |
-7.91 |
-1.32 |
0 |
|
|
4489 |
11483 |
1 |
NCl2O2C9H9 |
AB2C2D9E9 |
-89.13 |
2.07 |
-9.35 |
-0.42 |
0 |