List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
288400 |
104316296 |
1 |
BrN5C14H16 |
AB5C14D16 |
68.84 |
2.48 |
-9.96 |
-0.75 |
0 |
|
|
288401 |
104316302 |
1 |
BrN5C15H18 |
AB5C15D18 |
66.29 |
2.19 |
-9.97 |
-0.76 |
0 |
|
|
288402 |
104316305 |
1 |
BrON3H6C9 |
ABC3D6E9 |
41.13 |
1.64 |
-9.59 |
-1.42 |
0 |
|
|
288403 |
104316308 |
1 |
BrN5H6C10 |
AB5C6D10 |
115.71 |
1.67 |
-9.88 |
-1.7 |
0 |
|
|
288404 |
104316311 |
1 |
BrON4H5C7 |
ABC4D5E7 |
50.64 |
5.36 |
-9.87 |
-1.8 |
0 |
|
|
288405 |
104316317 |
1 |
BrN5H6C9 |
AB5C6D9 |
121.92 |
0.9 |
-9.74 |
-1.14 |
0 |
|
|
288406 |
104316320 |
1 |
BrON4C11H11 |
ABC4D11E11 |
34.09 |
7.89 |
-9.68 |
-1.47 |
0 |
|
|
288407 |
104316332 |
1 |
BrON4C14H17 |
ABC4D14E17 |
6.49 |
8.87 |
-8.47 |
-1.3 |
0 |
|
|
288408 |
104316340 |
1 |
BrO2N4C13H15 |
AB2C4D13E15 |
-10.7 |
7.38 |
-9.63 |
-1.43 |
0 |
|
|
288409 |
104316383 |
1 |
ClSBr2N2H5C9 |
ABC2D2E5F9 |
59.96 |
1.93 |
-9.23 |
-1.66 |
0 |
|
|
288410 |
104316392 |
1 |
SBr2N2H8C14 |
AB2C2D8E14 |
96.09 |
3.31 |
-8.97 |
-1.42 |
0 |
|
|
288411 |
104316407 |
1 |
BrSN3H6C8 |
ABC3D6E8 |
69.69 |
1.9 |
-8.44 |
-1.25 |
0 |
|
|
288412 |
104316410 |
1 |
BrSN3H8C9 |
ABC3D8E9 |
60.54 |
1.32 |
-8.36 |
-1.18 |
0 |
|
|
288413 |
104316419 |
1 |
ON2C14H30 |
AB2C14D30 |
-86.42 |
2.2 |
-8.64 |
2.69 |
0 |
|
|
288414 |
104316425 |
1 |
ON2C12H26 |
AB2C12D26 |
-80.26 |
1.37 |
-8.62 |
2.48 |
0 |
|
|
288415 |
104316455 |
1 |
NO3C10H21 |
AB3C10D21 |
-161.11 |
3.77 |
-9.05 |
1.9 |
0 |
|
|
288416 |
104316458 |
1 |
NO2C12H25 |
AB2C12D25 |
-131.4 |
3.31 |
-9.15 |
2.03 |
0 |
|
|
288417 |
104316461 |
1 |
ClNO2C11H16 |
ABC2D11E16 |
-91.63 |
4.53 |
-9.09 |
-0.24 |
0 |
|
|
288418 |
104316470 |
1 |
NO2C11H17 |
AB2C11D17 |
-87.64 |
2.39 |
-8.0 |
0.41 |
0 |
|
|
288419 |
104316476 |
1 |
NBr2O2C10H13 |
AB2C2D10E13 |
-70.87 |
5.24 |
-8.74 |
-0.57 |
0 |
|
|
288420 |
104316494 |
1 |
FNO2C10H14 |
ABC2D10E14 |
-126.15 |
4.31 |
-8.29 |
0.04 |
0 |
|
|
288421 |
104316497 |
1 |
NO2C12H19 |
AB2C12D19 |
-96.6 |
2.99 |
-8.24 |
0.48 |
0 |
|
|
288422 |
104316500 |
1 |
NO2C14H23 |
AB2C14D23 |
-105.33 |
1.84 |
-7.82 |
0.45 |
0 |
|
|
288423 |
104316503 |
2 |
NOC6H10 |
ABC6D10 |
-77.39 |
3.18 |
-7.56 |
0.52 |
0 |
|
|
288424 |
104316509 |
1 |
O4C11H14 |
A4B11C14 |
-162.93 |
8.06 |
-9.52 |
-0.55 |
0 |
|
|
288425 |
104316512 |
1 |
O4C11H14 |
A4B11C14 |
-164.51 |
5.91 |
-9.66 |
-0.73 |
0 |
|
|
288426 |
104316518 |
1 |
ClO4C11H13 |
AB4C11D13 |
-174.39 |
6.72 |
-9.88 |
-1.01 |
0 |
|
|
288427 |
104316521 |
1 |
O5C12H16 |
A5B12C16 |
-195.16 |
3.59 |
-8.98 |
-0.7 |
0 |
|
|
288428 |
104316527 |
1 |
NO4C10H13 |
AB4C10D13 |
-147.83 |
6.38 |
-9.64 |
-1.06 |
0 |
|
|
288429 |
104316533 |
1 |
SO4C10H14 |
AB4C10D14 |
-172.31 |
7.24 |
-9.06 |
-0.85 |
0 |
|
|
288430 |
104316536 |
4 |
OC3H4 |
AB3C4 |
-165.71 |
4.57 |
-9.28 |
-0.39 |
0 |
|
|
288431 |
104316542 |
1 |
NO4C10H13 |
AB4C10D13 |
-149.53 |
4.89 |
-9.95 |
-1.14 |
0 |
|
|
288432 |
104316559 |
1 |
NSO3C10H13 |
ABC3D10E13 |
-113.28 |
6.04 |
-9.17 |
-1.26 |
0 |
|
|
288433 |
104316593 |
1 |
NO3C12H19 |
AB3C12D19 |
-117.31 |
3.66 |
-8.17 |
0.17 |
0 |
|
|
288434 |
104316605 |
1 |
NO2C16H27 |
AB2C16D27 |
-107.98 |
3.91 |
-8.82 |
0.23 |
0 |
|
|
288435 |
104316608 |
1 |
NO2C12H19 |
AB2C12D19 |
-79.89 |
1.73 |
-8.59 |
0.37 |
0 |
|
|
288436 |
104316610 |
1 |
NO2C14H23 |
AB2C14D23 |
-96.46 |
2.76 |
-8.65 |
0.2 |
0 |
|
|
288437 |
104316611 |
1 |
NO2C14H21 |
AB2C14D21 |
-62.8 |
2.32 |
-8.64 |
0.32 |
0 |
|
|
288438 |
104316617 |
1 |
BrNO2C14H22 |
ABC2D14E22 |
-88.12 |
5.1 |
-8.81 |
-0.12 |
0 |
|
|
288439 |
104316620 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-91.79 |
3.37 |
-9.33 |
-1.05 |
0 |
|
|
288440 |
104316659 |
1 |
NO2C13H21 |
AB2C13D21 |
-88.43 |
3.03 |
-8.8 |
0.28 |
0 |
|
|
288441 |
104316662 |
1 |
NO2C15H25 |
AB2C15D25 |
-96.85 |
1.1 |
-8.54 |
0.39 |
0 |
|
|
288442 |
104316677 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-91.76 |
7.51 |
-9.03 |
-1.12 |
0 |
|
|
288443 |
104316680 |
2 |
NO2C7H10 |
AB2C7D10 |
-71.68 |
7.39 |
-9.2 |
-1.18 |
0 |
|
|
288444 |
104316689 |
1 |
NO2C16H21 |
AB2C16D21 |
-63.72 |
2.62 |
-8.37 |
-0.48 |
0 |
|
|
288445 |
104316746 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-90.21 |
6.31 |
-9.37 |
-1.04 |
0 |
|
|
288446 |
104316749 |
2 |
NO2C7H10 |
AB2C7D10 |
-64.9 |
6.96 |
-9.52 |
-1.06 |
0 |
|
|
288447 |
104316770 |
1 |
NO3C14H23 |
AB3C14D23 |
-122.07 |
1.84 |
-8.58 |
0.38 |
0 |
|
|
288448 |
104316773 |
1 |
BrNO3C16H26 |
ABC3D16E26 |
-133.16 |
4.45 |
-8.43 |
-0.08 |
0 |
|
|
288449 |
104316779 |
1 |
ClNO2C15H24 |
ABC2D15E24 |
-109.56 |
3.3 |
-8.69 |
0.03 |
0 |