List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
294750 |
117488551 |
1 |
NO3C18H25 |
AB3C18D25 |
-123.43 |
5.91 |
-9.02 |
-0.3 |
0 |
|
|
294751 |
117488571 |
1 |
NO3C18H25 |
AB3C18D25 |
-102.88 |
1.47 |
-7.96 |
0.24 |
0 |
|
|
294752 |
117488572 |
1 |
NO3C18H25 |
AB3C18D25 |
-101.49 |
1.61 |
-8.0 |
0.29 |
0 |
|
|
294753 |
117488600 |
1 |
NSO2C17H21 |
ABC2D17E21 |
-76.37 |
5.11 |
-9.21 |
-0.87 |
0 |
|
|
294754 |
117488697 |
1 |
BrClO2C12H12 |
ABC2D12E12 |
-60.79 |
5.03 |
-9.98 |
-0.82 |
0 |
|
|
294755 |
117488698 |
1 |
BrClO2C12H12 |
ABC2D12E12 |
-75.84 |
3.4 |
-9.78 |
-0.82 |
0 |
|
|
294756 |
117488707 |
1 |
BrClN2C12H16 |
ABC2D12E16 |
12.42 |
3.08 |
-8.93 |
-0.26 |
0 |
|
|
294757 |
117488780 |
1 |
ClNSO3C13H18 |
ABCD3E13F18 |
-97.14 |
4.42 |
-9.69 |
-0.96 |
0 |
|
|
294758 |
117488824 |
1 |
BrFN3O3H7C9 |
ABC3D3E7F9 |
-68.82 |
2.03 |
-8.73 |
-1.89 |
0 |
|
|
294759 |
117488825 |
1 |
BrFN3O3H7C9 |
ABC3D3E7F9 |
-53.54 |
3.51 |
-8.83 |
-1.91 |
0 |
|
|
294760 |
117488881 |
1 |
BrFNO3C11H11 |
ABCD3E11F11 |
-120.1 |
3.58 |
-9.09 |
-0.72 |
0 |
|
|
294761 |
117488888 |
1 |
BrFNO3C11H11 |
ABCD3E11F11 |
-154.14 |
3.5 |
-9.48 |
-0.59 |
0 |
|
|
294762 |
117488996 |
1 |
BrNO4C11H14 |
ABC4D11E14 |
-141.12 |
4.41 |
-8.96 |
-0.92 |
0 |
|
|
294763 |
117489004 |
1 |
BrNO4C11H14 |
ABC4D11E14 |
-148.05 |
3.3 |
-8.79 |
-0.62 |
0 |
|
|
294764 |
117489011 |
1 |
BrNO4C11H14 |
ABC4D11E14 |
-140.49 |
8.25 |
-8.98 |
-0.54 |
0 |
|
|
294765 |
117489143 |
1 |
BrFNO2C12H15 |
ABCD2E12F15 |
-99.07 |
2.37 |
-7.98 |
-0.22 |
0 |
|
|
294766 |
117489512 |
1 |
N2O5C15H16 |
A2B5C15D16 |
-107.94 |
5.29 |
-8.62 |
-1.22 |
0 |
|
|
294767 |
117489601 |
1 |
O5C17H20 |
A5B17C20 |
-182.03 |
5.07 |
-8.37 |
-0.19 |
0 |
|
|
294768 |
117489629 |
2 |
NO2C8H10 |
AB2C8D10 |
-125.89 |
6.41 |
-9.32 |
-0.72 |
0 |
|
|
294769 |
117489722 |
2 |
O2C9H12 |
A2B9C12 |
-169.81 |
5.12 |
-8.87 |
-0.15 |
0 |
|
|
294770 |
117489806 |
2 |
NOC9H14 |
ABC9D14 |
-89.38 |
5.3 |
-8.15 |
0.28 |
0 |
|
|
294771 |
117489812 |
2 |
NOC9H14 |
ABC9D14 |
-85.81 |
6.48 |
-8.81 |
0.06 |
0 |
|
|
294772 |
117489813 |
2 |
NOC9H14 |
ABC9D14 |
-72.59 |
3.03 |
-8.44 |
0.43 |
0 |
|
|
294773 |
117489820 |
2 |
NOC9H14 |
ABC9D14 |
-68.02 |
2.89 |
-7.95 |
0.62 |
0 |
|
|
294774 |
117489941 |
2 |
NOC9H14 |
ABC9D14 |
-78.58 |
1.18 |
-8.96 |
0.02 |
0 |
|
|
294775 |
117489945 |
2 |
NOC9H14 |
ABC9D14 |
-72.61 |
3.53 |
-8.55 |
0.2 |
0 |
|
|
294776 |
117490143 |
1 |
BrF2N2O2H7C10 |
AB2C2D2E7F10 |
-75.07 |
3.18 |
-9.29 |
-0.82 |
0 |
|
|
294777 |
117490634 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-107.21 |
5.47 |
-8.63 |
-0.64 |
0 |
|
|
294778 |
117490636 |
1 |
NSF2O3C13H17 |
ABC2D3E13F17 |
-200.83 |
4.7 |
-9.52 |
-1.15 |
0 |
|
|
294779 |
117490653 |
1 |
FNO3C17H20 |
ABC3D17E20 |
-146.3 |
1.37 |
-9.1 |
-0.28 |
0 |
|
|
294780 |
117490785 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-13.72 |
4.71 |
-8.22 |
0.08 |
0 |
|
|
294781 |
117490786 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-15.52 |
2.78 |
-8.61 |
-0.18 |
0 |
|
|
294782 |
117491114 |
1 |
BrFNO3C11H13 |
ABCD3E11F13 |
-149.13 |
3.25 |
-9.18 |
-0.49 |
0 |
|
|
294783 |
117491219 |
1 |
BrNOF2C12H14 |
ABCD2E12F14 |
-112.73 |
4.21 |
-9.16 |
-0.78 |
0 |
|
|
294784 |
117491519 |
1 |
N2O5C15H18 |
A2B5C15D18 |
-140.96 |
7.89 |
-9.09 |
-0.37 |
0 |
|
|
294785 |
117491643 |
1 |
SN2O3C15H18 |
AB2C3D15E18 |
-40.21 |
3.8 |
-8.53 |
-0.46 |
0 |
|
|
294786 |
117491649 |
1 |
SN2O3C15H18 |
AB2C3D15E18 |
-36.37 |
3.03 |
-8.36 |
-0.6 |
0 |
|
|
294787 |
117491677 |
2 |
O2C9H13 |
A2B9C13 |
-182.32 |
4.62 |
-9.31 |
-1.16 |
0 |
|
|
294788 |
117492134 |
1 |
BrFO4C11H12 |
ABC4D11E12 |
-193.48 |
7.46 |
-9.02 |
-0.59 |
0 |
|
|
294789 |
117492135 |
1 |
BrFO4C11H12 |
ABC4D11E12 |
-186.24 |
7.93 |
-9.47 |
-1.03 |
0 |
|
|
294790 |
117494855 |
1 |
BrNO2C14H16 |
ABC2D14E16 |
-39.82 |
3.29 |
-9.18 |
-0.42 |
0 |
|
|
294791 |
117495105 |
1 |
BrNOC15H20 |
ABCD15E20 |
-18.2 |
2.3 |
-8.97 |
-0.21 |
0 |
|
|
294792 |
117495215 |
1 |
BrNOC15H20 |
ABCD15E20 |
-32.45 |
4.7 |
-8.72 |
-0.12 |
0 |
|
|
294793 |
117495531 |
1 |
ClSN2O3H11C13 |
ABC2D3E11F13 |
-50.05 |
3.89 |
-9.04 |
-1.01 |
0 |
|
|
294794 |
117495855 |
1 |
BrN2O3H11C12 |
AB2C3D11E12 |
-69.27 |
10.09 |
-9.54 |
-0.89 |
0 |
|
|
294795 |
117495868 |
1 |
BrN2O3H11C12 |
AB2C3D11E12 |
-23.02 |
2.49 |
-9.18 |
-0.74 |
0 |
|
|
294796 |
117496425 |
1 |
ClNO5C14H14 |
ABC5D14E14 |
-126.57 |
7.63 |
-9.07 |
-1.02 |
0 |
|
|
294797 |
117496586 |
1 |
BrNO4H10C12 |
ABC4D10E12 |
-67.31 |
5.71 |
-10.04 |
-1.19 |
0 |
|
|
294798 |
117496589 |
1 |
BrNO4H10C12 |
ABC4D10E12 |
-66.59 |
2.87 |
-9.9 |
-1.26 |
0 |
|
|
294799 |
117496614 |
1 |
BrNO4H10C12 |
ABC4D10E12 |
-69.2 |
5.72 |
-10.11 |
-1.11 |
0 |