List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
27873 |
823973 |
1 |
N2O5H10C13 |
A2B5C10D13 |
-55.38 |
2.89 |
-9.53 |
-2.13 |
0 |
|
|
27874 |
823975 |
1 |
ClOSN3H12C16 |
ABCD3E12F16 |
35.73 |
4.47 |
-8.8 |
-1.04 |
0 |
|
|
27875 |
823997 |
2 |
ON2C5H7 |
AB2C5D7 |
-61.91 |
7.67 |
-9.18 |
-0.25 |
0 |
|
|
27876 |
824000 |
2 |
ON2C5H7 |
AB2C5D7 |
-64.97 |
7.96 |
-9.15 |
-0.26 |
0 |
|
|
27877 |
824003 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-121.23 |
6.08 |
-8.84 |
-1.71 |
0 |
|
|
27878 |
824011 |
1 |
SO2C6H14 |
AB2C6D14 |
-112.15 |
5.36 |
-10.63 |
0.99 |
0 |
|
|
27879 |
824013 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-82.96 |
4.76 |
-8.77 |
-0.49 |
0 |
|
|
27880 |
824014 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-83.35 |
4.28 |
-8.74 |
-0.56 |
0 |
|
|
27881 |
824016 |
1 |
NO6H13C16 |
AB6C13D16 |
-203.6 |
8.95 |
-9.27 |
-1.36 |
0 |
|
|
27882 |
824017 |
1 |
FN2O2C19H19 |
AB2C2D19E19 |
-92.78 |
4.35 |
-8.77 |
-0.58 |
0 |
|
|
27883 |
824018 |
1 |
ClN2O2C19H19 |
AB2C2D19E19 |
-57.55 |
4.83 |
-8.78 |
-0.41 |
0 |
|
|
27884 |
824020 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-89.29 |
2.92 |
-8.9 |
-0.19 |
0 |
|
|
27885 |
824024 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-93.49 |
1.73 |
-8.9 |
-0.01 |
0 |
|
|
27886 |
824031 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-52.89 |
2.21 |
-8.63 |
-0.02 |
0 |
|
|
27887 |
824033 |
1 |
ClN4H9C12 |
AB4C9D12 |
97.87 |
4.69 |
-9.77 |
-1.38 |
0 |
|
|
27888 |
824038 |
1 |
ClF2N3H12C15 |
AB2C3D12E15 |
-24.53 |
2.22 |
-8.75 |
-1.45 |
0 |
|
|
27889 |
824039 |
2 |
N2H9C11 |
A2B9C11 |
111.76 |
2.06 |
-8.62 |
-0.8 |
0 |
|
|
27890 |
824040 |
2 |
NO2H8C10 |
AB2C8D10 |
-100.44 |
3.72 |
-9.01 |
-1.11 |
0 |
|
|
27891 |
824044 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-110.9 |
3.01 |
-8.39 |
0.12 |
0 |
|
|
27892 |
824045 |
1 |
SN3O3C15H23 |
AB3C3D15E23 |
-116.8 |
3.48 |
-8.38 |
0.11 |
0 |
|
|
27893 |
824046 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-123.16 |
4.24 |
-8.26 |
0.14 |
0 |
|
|
27894 |
824049 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-100.73 |
2.76 |
-8.34 |
-0.64 |
0 |
|
|
27895 |
824050 |
1 |
BrO2N5C10H10 |
AB2C5D10E10 |
35.56 |
8.2 |
-9.38 |
-0.96 |
0 |
|
|
27896 |
824060 |
1 |
OF3N3H8C12 |
AB3C3D8E12 |
-117.95 |
9.65 |
-9.07 |
-1.45 |
0 |
|
|
27897 |
824065 |
1 |
ClN2O4C10H11 |
AB2C4D10E11 |
-119.68 |
5.02 |
-9.3 |
-0.87 |
0 |
|
|
27898 |
824067 |
3 |
NC4H5 |
AB4C5 |
52.5 |
2.99 |
-8.66 |
-0.16 |
0 |
|
|
27899 |
824072 |
1 |
ON3C21H25 |
AB3C21D25 |
-9.05 |
7.09 |
-8.99 |
-0.7 |
0 |
|
|
27900 |
824079 |
1 |
ClOSN2H9C14 |
ABCD2E9F14 |
29.63 |
6.28 |
-9.03 |
-1.51 |
0 |
|
|
27901 |
824082 |
1 |
N2O5H14C17 |
A2B5C14D17 |
-68.44 |
3.74 |
-9.32 |
-1.27 |
0 |
|
|
27902 |
824083 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-76.48 |
5.16 |
-8.57 |
0.01 |
0 |
|
|
27903 |
824086 |
1 |
ClN2O2H11C12 |
AB2C2D11E12 |
-12.03 |
6.01 |
-9.64 |
-0.48 |
0 |
|
|
27904 |
824093 |
1 |
O2N3H13C17 |
A2B3C13D17 |
27.02 |
5.07 |
-9.03 |
-1.05 |
0 |
|
|
27905 |
824097 |
1 |
N2O3H10C11 |
A2B3C10D11 |
-14.0 |
5.76 |
-9.36 |
-1.04 |
0 |
|
|
27906 |
824099 |
1 |
OS2N3C17H17 |
AB2C3D17E17 |
19.27 |
3.11 |
-8.75 |
-1.14 |
0 |
|
|
27907 |
824100 |
1 |
O2N4H8C9 |
A2B4C8D9 |
48.15 |
9.88 |
-9.83 |
-1.54 |
0 |
|
|
27908 |
824105 |
1 |
SCl2N2O2H8C10 |
AB2C2D2E8F10 |
-33.72 |
5.32 |
-8.88 |
-1.35 |
0 |
|
|
27909 |
824113 |
1 |
ON2C17H20 |
AB2C17D20 |
-28.02 |
3.57 |
-9.28 |
-0.79 |
0 |
|
|
27910 |
824114 |
1 |
NCl2O2H7C14 |
AB2C2D7E14 |
-31.21 |
4.17 |
-9.36 |
-1.6 |
0 |
|
|
27911 |
824125 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-34.21 |
2.84 |
-10.31 |
-1.64 |
0 |
|
|
27912 |
824126 |
2 |
NOH9C11 |
ABC9D11 |
23.45 |
2.18 |
-8.62 |
-0.68 |
1 |
|
|
27913 |
824127 |
1 |
BrNC15H15 |
ABC15D15 |
58.31 |
5.97 |
0.0 |
0.0 |
1 |
|
|
27914 |
824132 |
1 |
BrNC16H17 |
ABC16D17 |
51.58 |
6.37 |
0.0 |
0.0 |
1 |
|
|
27915 |
824134 |
1 |
NO2C16H18 |
AB2C16D18 |
-16.75 |
3.01 |
0.0 |
0.0 |
0 |
|
|
27916 |
824144 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-130.93 |
5.96 |
-8.56 |
-0.53 |
0 |
|
|
27917 |
824145 |
2 |
NO2C8H8 |
AB2C8D8 |
-51.22 |
5.29 |
-8.55 |
-1.65 |
0 |
|
|
27918 |
824148 |
1 |
SN3O3H9C13 |
AB3C3D9E13 |
-33.74 |
3.41 |
-8.96 |
-2.51 |
0 |
|
|
27919 |
824154 |
1 |
ClN2O4C17H17 |
AB2C4D17E17 |
-75.2 |
7.55 |
-8.01 |
-0.67 |
0 |
|
|
27920 |
824156 |
1 |
O2C13H16 |
A2B13C16 |
-83.26 |
4.58 |
-9.48 |
0.25 |
0 |
|
|
27921 |
824160 |
1 |
NSO3C14H17 |
ABC3D14E17 |
-123.05 |
3.29 |
-9.26 |
-0.51 |
0 |
|
|
27922 |
824161 |
1 |
F3O3N4H13C14 |
A3B3C4D13E14 |
-161.49 |
4.92 |
-9.72 |
-1.06 |
0 |