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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
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 |
|
|
4721 |
11921 |
1 |
ClNO2H6C7 |
ABC2D6E7 |
5.46 |
4.53 |
-10.45 |
-1.54 |
0 |
|
|
4722 |
11922 |
1 |
N2O2H4C7 |
A2B2C4D7 |
56.71 |
6.99 |
-10.96 |
-1.88 |
0 |
|
|
4723 |
11925 |
1 |
ClNC10H10 |
ABC10D10 |
35.95 |
7.68 |
-7.55 |
0.23 |
0 |
|
|
4724 |
11926 |
1 |
NH9C10 |
AB9C10 |
41.04 |
2.47 |
-9.21 |
-0.6 |
0 |
|
|
4725 |
11927 |
1 |
NH9C10 |
AB9C10 |
40.4 |
2.33 |
-9.21 |
-0.6 |
0 |
|
|
4726 |
11928 |
1 |
ClNH6C9 |
ABC6D9 |
43.22 |
3.59 |
-9.5 |
-1.0 |
0 |
|
|
4727 |
11929 |
1 |
ON2C8H10 |
AB2C8D10 |
28.52 |
3.42 |
-9.07 |
-0.49 |
0 |
|
|
4728 |
11930 |
6 |
H3C4 |
A3B4 |
94.08 |
0.01 |
-8.98 |
-0.34 |
0 |
|
|
4729 |
11931 |
14 |
CH |
AB |
26.95 |
1.06 |
-8.96 |
0.05 |
0 |
|
|
4730 |
11934 |
4 |
H3C4 |
A3B4 |
62.98 |
0.02 |
-8.8 |
-0.5 |
0 |
|
|
4731 |
11935 |
1 |
ON2H12C13 |
AB2C12D13 |
61.05 |
3.48 |
-9.19 |
-0.46 |
0 |
|
|
4732 |
11936 |
3 |
H4C5 |
A4B5 |
49.33 |
0.89 |
-8.26 |
-0.88 |
0 |
|
|
4733 |
11938 |
1 |
NH11C14 |
AB11C14 |
60.78 |
2.42 |
-8.71 |
-1.12 |
0 |
|
|
4734 |
11941 |
14 |
CH |
AB |
27.25 |
0.1 |
-8.7 |
0.15 |
0 |
|
|
4735 |
11943 |
1 |
OH12C13 |
AB12C13 |
6.18 |
1.72 |
-8.64 |
0.05 |
0 |
|
|
4736 |
11944 |
1 |
NH7C11 |
AB7C11 |
71.36 |
4.44 |
-9.38 |
-1.05 |
0 |
|
|
4737 |
11946 |
1 |
N2O2H6C9 |
A2B2C6D9 |
47.09 |
6.72 |
-10.13 |
-1.77 |
0 |
|
|
4738 |
11950 |
1 |
O2C9H10 |
A2B9C10 |
-52.7 |
5.43 |
-9.28 |
-0.53 |
0 |
|
|
4739 |
11951 |
2 |
NC5H5 |
AB5C5 |
33.4 |
2.48 |
-8.19 |
-0.16 |
0 |
|
|
4740 |
11953 |
1 |
NOH5C8 |
ABC5D8 |
31.8 |
4.64 |
-10.44 |
-1.42 |
0 |
|
|
4741 |
11954 |
1 |
NOC8H9 |
ABC8D9 |
-18.59 |
3.96 |
-9.79 |
-0.22 |
0 |
|
|
4742 |
11955 |
1 |
ON2C7H8 |
AB2C7D8 |
1.57 |
2.99 |
-10.04 |
-0.48 |
0 |
|
|
4743 |
11957 |
1 |
ON2C7H8 |
AB2C7D8 |
34.99 |
3.47 |
-9.1 |
-0.54 |
0 |
|
|
4744 |
11959 |
1 |
NOC9H11 |
ABC9D11 |
-26.21 |
3.96 |
-9.8 |
-0.23 |
0 |
|
|
4745 |
11961 |
1 |
O3C10H10 |
A3B10C10 |
-105.62 |
5.09 |
-10.22 |
-0.82 |
0 |
|
|
4746 |
11963 |
1 |
ClN2O2C14H23 |
AB2C2D14E23 |
-129.0 |
9.9 |
-9.16 |
-0.63 |
0 |
|
|
4747 |
11964 |
2 |
NOC7H11 |
ABC7D11 |
-84.34 |
2.75 |
-8.79 |
-0.19 |
0 |
|
|
4748 |
11965 |
1 |
FO2C9H9 |
AB2C9D9 |
-111.73 |
1.67 |
-10.12 |
-0.69 |
0 |
|
|
4749 |
11966 |
1 |
O3C11H14 |
A3B11C14 |
-55.03 |
3.11 |
-9.95 |
-0.63 |
0 |
|
|
4750 |
11967 |
1 |
FO2C10H11 |
AB2C10D11 |
-118.88 |
2.23 |
-10.13 |
-0.68 |
0 |
|
|
4751 |
11968 |
1 |
O3H8C9 |
A3B8C9 |
-91.09 |
7.42 |
-9.54 |
-0.96 |
0 |
|
|
4752 |
11969 |
1 |
ClO3H7C8 |
AB3C7D8 |
-105.32 |
5.62 |
-9.58 |
-0.63 |
0 |
|
|
4753 |
11970 |
1 |
O3C8H8 |
A3B8C8 |
-113.83 |
6.07 |
-9.63 |
-0.45 |
0 |
|
|
4754 |
11971 |
1 |
SN2C8H10 |
AB2C8D10 |
31.71 |
2.51 |
-8.88 |
-0.39 |
0 |
|
|
4755 |
11972 |
1 |
NO2C8H9 |
AB2C8D9 |
-71.02 |
3.74 |
-8.63 |
-0.02 |
0 |
|
|
4756 |
11974 |
1 |
Br2O2N4C17H18 |
A2B2C4D17E18 |
9.56 |
4.16 |
-9.32 |
-0.64 |
0 |
|
|
4757 |
11975 |
1 |
OCl2N2C7H12 |
AB2C2D7E12 |
-92.09 |
5.27 |
-8.24 |
-0.07 |
0 |
|
|
4758 |
11976 |
1 |
ON2C7H10 |
AB2C7D10 |
-19.29 |
1.6 |
-8.12 |
0.42 |
0 |
|
|
4759 |
11977 |
1 |
N2O3C5H10 |
A2B3C5D10 |
-88.73 |
1.95 |
-9.98 |
-0.64 |
0 |
|
|
4760 |
11979 |
2 |
NC4H4 |
AB4C4 |
40.88 |
3.76 |
-8.9 |
-0.13 |
0 |
|
|
4761 |
11981 |
1 |
NO2C7H7 |
AB2C7D7 |
-10.75 |
3.09 |
-9.05 |
-1.14 |
0 |
|
|
4762 |
11982 |
1 |
O3C8H10 |
A3B8C10 |
-99.59 |
1.82 |
-9.98 |
-0.58 |
0 |
|
|
4763 |
11984 |
2 |
NC4H4 |
AB4C4 |
39.79 |
3.71 |
-8.93 |
-0.09 |
0 |
|
|
4764 |
11985 |
1 |
ON2H6C7 |
AB2C6D7 |
-11.82 |
3.35 |
-8.86 |
-0.33 |
0 |
|
|
4765 |
11988 |
1 |
SN3C7H7 |
AB3C7D7 |
69.36 |
1.71 |
-8.83 |
-0.7 |
0 |
|
|
4766 |
11989 |
1 |
NS2H7C8 |
AB2C7D8 |
52.05 |
0.65 |
-8.73 |
-0.76 |
0 |
|
|
4767 |
11990 |
2 |
ClNC3H5 |
ABC3D5 |
-45.05 |
1.93 |
-8.94 |
-0.42 |
0 |
|
|
4768 |
11991 |
1 |
OC7H16 |
AB7C16 |
-84.4 |
1.93 |
-10.12 |
3.04 |
0 |
|
|
4769 |
11993 |
1 |
ClIH4C6 |
ABC4D6 |
34.14 |
2.3 |
-9.53 |
-1.11 |
0 |
|
|
4770 |
11994 |
2 |
IH2C3 |
AB2C3 |
58.29 |
2.16 |
-9.37 |
-1.29 |
0 |