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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
4646 |
11801 |
1 |
ClNSO2C12H12 |
ABCD2E12F12 |
-42.95 |
8.23 |
-9.15 |
-1.41 |
0 |
|
|
4647 |
11803 |
2 |
NO2H3C5 |
AB2C3D5 |
35.2 |
0.09 |
-10.33 |
-2.31 |
0 |
|
|
4648 |
11804 |
1 |
O3N4C6H6 |
A3B4C6D6 |
-101.43 |
3.98 |
-9.2 |
-0.89 |
0 |
|
|
4649 |
11805 |
3 |
NOH7C8 |
ABC7D8 |
-55.23 |
0.71 |
-9.69 |
-0.88 |
0 |
|
|
4650 |
11807 |
1 |
NOC4H11 |
ABC4D11 |
-66.57 |
3.57 |
-9.69 |
2.85 |
0 |
|
|
4651 |
11809 |
1 |
BrO3N7C24H30 |
AB3C7D24E30 |
7.2 |
2.83 |
-8.5 |
-1.11 |
0 |
|
|
4652 |
11810 |
1 |
Cl5H5C8 |
A5B5C8 |
-22.13 |
1.88 |
-9.64 |
-1.15 |
0 |
|
|
4653 |
11811 |
2 |
NO2C5H6 |
AB2C5D6 |
-145.45 |
4.74 |
-9.16 |
-1.17 |
0 |
|
|
4654 |
11812 |
1 |
O5H6C8 |
A5B6C8 |
-190.92 |
5.98 |
-10.5 |
-1.76 |
0 |
|
|
4655 |
11816 |
3 |
OH4C5 |
AB4C5 |
-62.63 |
4.64 |
-9.92 |
-0.89 |
0 |
|
|
4656 |
11817 |
1 |
N3H5C7O7 |
A3B5C7D7 |
-18.27 |
3.64 |
-11.17 |
-2.44 |
0 |
|
|
4657 |
11819 |
1 |
ClOH7C10 |
ABC7D10 |
-13.9 |
0.97 |
-8.77 |
-0.67 |
0 |
|
|
4658 |
11820 |
1 |
NOH9C10 |
ABC9D10 |
-7.93 |
4.0 |
-8.86 |
-0.8 |
0 |
|
|
4659 |
11821 |
2 |
INO3C17H23 |
ABC3D17E23 |
-152.89 |
25.94 |
-6.9 |
-0.85 |
0 |
|
|
4660 |
11823 |
2 |
NOH4C5 |
ABC4D5 |
28.36 |
6.01 |
-8.94 |
-1.27 |
0 |
|
|
4661 |
11827 |
1 |
ClOH9C12 |
ABC9D12 |
-5.31 |
1.99 |
-8.97 |
-0.45 |
0 |
|
|
4662 |
11828 |
1 |
NOH9C10 |
ABC9D10 |
27.72 |
1.1 |
-8.92 |
-0.6 |
0 |
|
|
4663 |
11829 |
1 |
N2O2H6C9 |
A2B2C6D9 |
47.75 |
3.04 |
-10.18 |
-1.83 |
0 |
|
|
4664 |
11830 |
1 |
N2O2H6C9 |
A2B2C6D9 |
50.67 |
6.89 |
-10.11 |
-1.5 |
0 |
|
|
4665 |
11832 |
1 |
N3H17C18 |
A3B17C18 |
111.7 |
3.71 |
-8.13 |
-0.98 |
0 |
|
|
4666 |
11833 |
2 |
OH4C5 |
AB4C5 |
-50.8 |
5.92 |
-9.48 |
-1.03 |
0 |
|
|
4667 |
11834 |
1 |
NO3C21H23 |
AB3C21D23 |
-64.51 |
7.79 |
-9.09 |
-0.83 |
0 |
|
|
4668 |
11839 |
1 |
OBr3H5C7 |
AB3C5D7 |
-2.93 |
1.94 |
-9.81 |
-0.92 |
0 |
|
|
4669 |
11844 |
1 |
NCl2H5C6 |
AB2C5D6 |
5.08 |
3.32 |
-8.83 |
-0.29 |
0 |
|
|
4670 |
11845 |
3 |
HIC2 |
ABC2 |
77.6 |
2.05 |
-9.01 |
-1.62 |
0 |
|
|
4671 |
11846 |
1 |
NCl2H5C6 |
AB2C5D6 |
3.41 |
1.11 |
-8.75 |
-0.34 |
0 |
|
|
4672 |
11848 |
2 |
O2C3H5 |
A2B3C5 |
-191.48 |
6.14 |
-10.95 |
-0.16 |
0 |
|
|
4673 |
11852 |
1 |
HOBr5C6 |
ABC5D6 |
4.3 |
1.72 |
-9.7 |
-1.46 |
0 |
|
|
4674 |
11853 |
6 |
CI |
AB |
141.35 |
0.0 |
-8.43 |
-2.13 |
0 |
|
|
4675 |
11854 |
1 |
HBr5C6 |
AB5C6 |
46.62 |
0.8 |
-10.01 |
-1.4 |
0 |
|
|
4676 |
11855 |
1 |
HCl5C6 |
AB5C6 |
-8.31 |
0.83 |
-9.73 |
-1.26 |
0 |
|
|
4677 |
11856 |
1 |
HI5C6 |
AB5C6 |
117.76 |
0.66 |
-8.78 |
-1.98 |
0 |
|
|
4678 |
11858 |
1 |
ClO3C6H9 |
AB3C6D9 |
-146.41 |
2.79 |
-10.61 |
-0.73 |
0 |
|
|
4679 |
11859 |
1 |
OCl3H3C6 |
AB3C3D6 |
-42.78 |
2.7 |
-9.41 |
-0.87 |
0 |
|
|
4680 |
11860 |
2 |
ClNC3H3 |
ABC3D3 |
2.79 |
3.24 |
-8.2 |
-0.41 |
0 |
|
|
4681 |
11861 |
1 |
OBr2H6C7 |
AB2C6D7 |
-24.79 |
1.46 |
-9.23 |
-0.56 |
0 |
|
|
4682 |
11864 |
1 |
NO3C4H9 |
AB3C4D9 |
-71.36 |
3.19 |
-11.03 |
-0.62 |
0 |
|
|
4683 |
11865 |
1 |
NH3O3C4 |
AB3C3D4 |
-4.33 |
5.08 |
-10.64 |
-1.49 |
0 |
|
|
4684 |
11866 |
1 |
NSO2H3C4 |
ABC2D3E4 |
24.56 |
5.24 |
-9.9 |
-1.68 |
0 |
|
|
4685 |
11867 |
1 |
SO4C6H6 |
AB4C6D6 |
-152.66 |
3.66 |
-9.79 |
-0.89 |
0 |
|
|
4686 |
11868 |
1 |
SO3C8H10 |
AB3C8D10 |
-120.53 |
4.89 |
-9.68 |
-0.65 |
0 |
|
|
4687 |
11871 |
1 |
NCl2H3O3C6 |
AB2C3D3E6 |
-36.0 |
4.4 |
-9.9 |
-1.57 |
0 |
|
|
4688 |
11872 |
1 |
N2O5H6C7 |
A2B5C6D7 |
-36.71 |
5.31 |
-10.28 |
-2.15 |
0 |
|
|
4689 |
11873 |
1 |
N2H4C7O7 |
A2B4C7D7 |
-112.59 |
3.74 |
-11.49 |
-2.7 |
0 |
|
|
4690 |
11874 |
1 |
O5H6C7 |
A5B6C7 |
-189.43 |
6.92 |
-9.6 |
-1.1 |
0 |
|
|
4691 |
11877 |
2 |
NOC4H5 |
ABC4D5 |
20.77 |
5.68 |
-9.19 |
-0.8 |
0 |
|
|
4692 |
11878 |
1 |
N3H5O6C7 |
A3B5C6D7 |
15.83 |
5.39 |
-11.58 |
-2.69 |
0 |
|
|
4693 |
11879 |
1 |
N2H4O6C7 |
A2B4C6D7 |
-56.72 |
4.47 |
-11.74 |
-2.87 |
0 |
|
|
4694 |
11880 |
1 |
N2H4O6C7 |
A2B4C6D7 |
-57.1 |
2.92 |
-11.8 |
-2.77 |
0 |
|
|
4695 |
11881 |
1 |
O5H6C8 |
A5B6C8 |
-188.85 |
6.57 |
-10.15 |
-1.54 |
0 |
|
|
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 |