List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
5131 |
12638 |
1 |
NO2C4H7 |
AB2C4D7 |
-54.64 |
3.09 |
-10.53 |
0.43 |
0 |
|
|
5132 |
12639 |
1 |
NO2C5H9 |
AB2C5D9 |
-63.18 |
2.82 |
-10.4 |
0.52 |
0 |
|
|
5133 |
12642 |
1 |
ClOC4H7 |
ABC4D7 |
-47.95 |
1.51 |
-10.56 |
0.56 |
0 |
|
|
5134 |
12643 |
1 |
NO2C13H19 |
AB2C13D19 |
-87.79 |
2.73 |
-9.1 |
0.28 |
0 |
|
|
5135 |
12645 |
1 |
ON2C15H24 |
AB2C15D24 |
-53.34 |
4.26 |
-8.43 |
0.35 |
0 |
|
|
5136 |
12650 |
1 |
NO3C10H13 |
AB3C10D13 |
-120.86 |
5.69 |
-9.3 |
-0.31 |
0 |
|
|
5137 |
12651 |
1 |
O3C7H8 |
A3B7C8 |
-112.3 |
4.33 |
-9.67 |
-0.4 |
0 |
|
|
5138 |
12652 |
1 |
ClN5C11H12 |
AB5C11D12 |
51.16 |
2.98 |
-8.84 |
-0.57 |
0 |
|
|
5139 |
12653 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-90.0 |
3.32 |
-8.97 |
0.01 |
0 |
|
|
5140 |
12654 |
1 |
ON5C8H15 |
AB5C8D15 |
-9.95 |
3.75 |
-9.3 |
0.23 |
0 |
|
|
5141 |
12655 |
1 |
NO2C12H17 |
AB2C12D17 |
-83.33 |
1.9 |
-9.07 |
0.29 |
0 |
|
|
5142 |
12658 |
2 |
C5H8 |
A5B8 |
5.09 |
1.49 |
-8.19 |
0.27 |
0 |
|
|
5143 |
12659 |
6 |
CH2 |
AB2 |
-13.9 |
0.15 |
-9.54 |
1.45 |
0 |
|
|
5144 |
12660 |
1 |
COH4N4 |
ABC4D4 |
35.04 |
5.84 |
-8.7 |
-0.62 |
0 |
|
|
5145 |
12661 |
2 |
OC2H2 |
AB2C2 |
-44.63 |
3.74 |
-10.45 |
0.0 |
0 |
|
|
5146 |
12663 |
3 |
OC2H2 |
AB2C2 |
-99.68 |
4.33 |
-10.13 |
-0.28 |
0 |
|
|
5147 |
12664 |
3 |
CFN |
ABC |
-62.67 |
0.0 |
-12.15 |
-2.02 |
0 |
|
|
5148 |
12665 |
1 |
NOC5H9 |
ABC5D9 |
-58.0 |
4.82 |
-9.7 |
1.34 |
0 |
|
|
5149 |
12667 |
1 |
FNOC6H12 |
ABCD6E12 |
-118.83 |
3.41 |
-10.5 |
1.1 |
0 |
|
|
5150 |
12668 |
6 |
C2H3 |
A2B3 |
13.72 |
0.06 |
-9.25 |
1.43 |
0 |
|
|
5151 |
12669 |
1 |
CH4 |
AB4 |
-12.29 |
0.0 |
-13.67 |
6.02 |
0 |
|
|
5152 |
12670 |
1 |
CClMgH3 |
ABCD3 |
-46.29 |
3.21 |
-10.26 |
0.12 |
0 |
|
|
5153 |
12673 |
1 |
NOPC2Cl2H6 |
ABCD2E2F6 |
-122.35 |
4.75 |
-10.2 |
-0.47 |
0 |
|
|
5154 |
12675 |
1 |
C5F12 |
A5B12 |
-604.73 |
0.35 |
-13.9 |
-0.63 |
0 |
|
|
5155 |
12676 |
1 |
BrOC3F3H4 |
ABC3D3E4 |
-198.05 |
2.24 |
-11.24 |
-1.21 |
0 |