List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
5026 |
12473 |
1 |
NO2C5H5 |
AB2C5D5 |
-55.48 |
5.42 |
-9.84 |
-0.34 |
0 |
|
|
5027 |
12474 |
1 |
N3O7C42H45 |
A3B7C42D45 |
-212.34 |
2.15 |
-8.02 |
-1.25 |
0 |
|
|
5028 |
12475 |
1 |
O3C8H8 |
A3B8C8 |
-106.33 |
6.19 |
-10.96 |
-1.61 |
0 |
|
|
5029 |
12476 |
1 |
ClNO2H6C7 |
ABC2D6E7 |
-72.14 |
5.26 |
-9.22 |
-0.92 |
0 |
|
|
5030 |
12478 |
1 |
NO5C14H19 |
AB5C14D19 |
-167.73 |
2.21 |
-8.47 |
-0.21 |
0 |
|
|
5031 |
12479 |
2 |
O2C5H5 |
A2B5C5 |
-145.99 |
3.48 |
-9.18 |
-0.21 |
0 |
|
|
5032 |
12481 |
1 |
ClO2H5C7 |
AB2C5D7 |
-57.8 |
5.05 |
-9.49 |
-1.05 |
0 |
|
|
5033 |
12482 |
1 |
NSH11C13 |
ABC11D13 |
69.73 |
3.79 |
-8.92 |
-0.46 |
0 |
|
|
5034 |
12485 |
1 |
OSN2C5H6 |
ABC2D5E6 |
-21.8 |
2.08 |
-9.43 |
-0.91 |
0 |
|
|
5035 |
12488 |
2 |
HI2C3 |
AB2C3 |
94.94 |
0.0 |
-9.66 |
-1.72 |
0 |
|
|
5036 |
12490 |
1 |
O5H6C8 |
A5B6C8 |
-186.61 |
6.84 |
-10.69 |
-1.54 |
0 |
|
|
5037 |
12491 |
2 |
O2C6H7 |
A2B6C7 |
-161.14 |
2.17 |
-10.43 |
-0.98 |
0 |
|
|
5038 |
12492 |
1 |
ClSN3O3C14H20 |
ABC3D3E14F20 |
-100.58 |
4.31 |
-9.01 |
-1.1 |
0 |
|
|
5039 |
12495 |
1 |
INO2H4C6 |
ABC2D4E6 |
36.42 |
4.01 |
-10.15 |
-1.72 |
0 |
|
|
5041 |
12498 |
1 |
Cl2N5C11H17 |
A2B5C11D17 |
-2.94 |
4.86 |
-9.28 |
-0.67 |
0 |
|
|
5042 |
12500 |
1 |
C9H10 |
A9B10 |
27.99 |
0.96 |
-8.94 |
0.16 |
0 |
|
|
5043 |
12501 |
1 |
NSC7H7 |
ABC7D7 |
47.91 |
1.31 |
-9.19 |
-0.17 |
0 |
|
|
5045 |
12507 |
1 |
OC9H10 |
AB9C10 |
-2.87 |
1.61 |
-8.58 |
0.11 |
0 |
|
|
5046 |
12509 |
2 |
NOC2H5 |
ABC2D5 |
-76.01 |
3.86 |
-9.53 |
0.49 |
0 |
|
|
5047 |
12510 |
1 |
ClIH4C6 |
ABC4D6 |
30.37 |
0.25 |
-9.48 |
-1.1 |
0 |
|
|
5048 |
12511 |
2 |
OC3H4 |
AB3C4 |
-88.82 |
0.01 |
-10.3 |
0.09 |
0 |
|
|
5049 |
12512 |
1 |
OC6H14 |
AB6C14 |
-76.19 |
1.49 |
-9.61 |
2.46 |
0 |
|
|
5050 |
12513 |
1 |
IC5H11 |
AB5C11 |
-16.06 |
2.59 |
-9.58 |
-0.64 |
0 |
|
|
5051 |
12514 |
1 |
SC6H8 |
AB6C8 |
7.5 |
0.12 |
-8.95 |
0.23 |
0 |
|
|
5052 |
12516 |
1 |
O2C7H12 |
A2B7C12 |
-102.46 |
2.32 |
-10.25 |
0.1 |
0 |