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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4696 |
11882 |
1 |
NH5O5C7 |
AB5C5D7 |
-104.18 |
6.46 |
-10.58 |
-1.94 |
0 |
|
|
4697 |
11883 |
1 |
N2O4H6C7 |
A2B4C6D7 |
14.05 |
8.44 |
-10.9 |
-1.9 |
0 |
|
|
4698 |
11884 |
3 |
H4C5 |
A4B5 |
50.58 |
0.83 |
-8.25 |
-0.88 |
0 |
|
|
4699 |
11885 |
1 |
NH11C14 |
AB11C14 |
57.98 |
1.94 |
-8.0 |
-0.89 |
0 |
|
|
4700 |
11887 |
1 |
N2O5C8H8 |
A2B5C8D8 |
-31.1 |
8.02 |
-10.48 |
-1.72 |
0 |
|
|
4701 |
11888 |
2 |
NOH3C4 |
ABC3D4 |
45.4 |
5.12 |
-10.69 |
-1.64 |
0 |
|
|
4702 |
11889 |
1 |
NO3C8H9 |
AB3C8D9 |
-26.92 |
6.49 |
-9.62 |
-1.07 |
0 |
|
|
4703 |
11890 |
1 |
NO4H7C8 |
AB4C7D8 |
-66.38 |
3.27 |
-10.08 |
-1.36 |
0 |
|
|
4704 |
11891 |
1 |
Br2O2H4C7 |
A2B2C4D7 |
-51.85 |
4.87 |
-10.2 |
-1.36 |
0 |
|
|
4705 |
11893 |
1 |
NO3C10H15 |
AB3C10D15 |
-147.92 |
1.94 |
-10.03 |
-0.53 |
0 |
|
|
4706 |
11894 |
1 |
BrO2H7C8 |
AB2C7D8 |
-55.62 |
3.18 |
-9.91 |
-0.82 |
0 |
|
|
4707 |
11895 |
1 |
ClO2H7C8 |
AB2C7D8 |
-68.3 |
2.14 |
-9.86 |
-0.81 |
0 |
|
|
4708 |
11896 |
1 |
Br2O2H4C7 |
A2B2C4D7 |
-52.06 |
4.17 |
-10.42 |
-1.4 |
0 |
|
|
4709 |
11897 |
1 |
O2C9H10 |
A2B9C10 |
-80.13 |
5.87 |
-9.85 |
-0.38 |
0 |
|
|
4710 |
11898 |
1 |
N2O2C7H8 |
A2B2C7D8 |
1.13 |
7.91 |
-9.26 |
-0.81 |
0 |
|
|
4711 |
11901 |
2 |
NH2O2C4 |
AB2C2D4 |
1.34 |
6.02 |
-9.71 |
-2.54 |
0 |
|
|
4712 |
11903 |
3 |
C3H4 |
A3B4 |
1.81 |
1.01 |
-9.04 |
0.55 |
0 |
|
|
4713 |
11904 |
1 |
C9H10 |
A9B10 |
28.93 |
0.7 |
-9.08 |
0.2 |
0 |
|
|
4714 |
11906 |
1 |
Cl2H6C7 |
A2B6C7 |
-0.09 |
1.96 |
-9.7 |
-0.4 |
0 |
|
|
4715 |
11910 |
1 |
NH9C10 |
AB9C10 |
41.84 |
1.38 |
-9.03 |
-0.57 |
0 |
|
|
4716 |
11911 |
1 |
N2H8C9 |
A2B8C9 |
48.77 |
3.82 |
-8.5 |
-0.56 |
0 |
|
|
4717 |
11912 |
1 |
NO3C20H21 |
AB3C20D21 |
-57.77 |
5.14 |
-8.9 |
-0.93 |
0 |
|
|
4718 |
11913 |
1 |
NH11C14 |
AB11C14 |
62.39 |
3.17 |
-8.64 |
-1.05 |
0 |
|
|
4719 |
11915 |
1 |
O3H6C8 |
A3B6C8 |
-83.14 |
4.0 |
-10.39 |
-1.63 |
0 |
|
|
4720 |
11920 |
1 |
O3C8H8 |
A3B8C8 |
-106.86 |
5.82 |
-10.35 |
-0.97 |
0 |