List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
291900 |
113635238 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-98.03 |
3.22 |
-8.96 |
1.19 |
0 |
|
|
291901 |
113635242 |
2 |
ON2C6H12 |
AB2C6D12 |
-107.86 |
3.91 |
-8.79 |
0.29 |
0 |
|
|
291902 |
113635243 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-107.29 |
1.86 |
-8.88 |
-0.12 |
0 |
|
|
291903 |
113635244 |
1 |
OSN4C12H16 |
ABC4D12E16 |
58.99 |
2.49 |
-8.88 |
-1.21 |
0 |
|
|
291904 |
113635291 |
1 |
FON3C13H18 |
ABC3D13E18 |
-67.12 |
3.17 |
-8.92 |
-0.62 |
0 |
|
|
291905 |
113667135 |
1 |
NC16H33 |
AB16C33 |
-63.12 |
1.46 |
-8.53 |
3.16 |
0 |
|
|
291906 |
113690385 |
1 |
NOC16H27 |
ABC16D27 |
-53.4 |
1.22 |
-8.86 |
0.48 |
0 |
|
|
291907 |
113711237 |
1 |
BrFON2H12C13 |
ABCD2E12F13 |
-14.51 |
4.85 |
-9.29 |
-0.6 |
0 |
|
|
291908 |
113735865 |
1 |
BrNO2C13H18 |
ABC2D13E18 |
-79.3 |
4.36 |
-9.01 |
-0.34 |
0 |
|
|
291909 |
113739208 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-121.51 |
1.49 |
-9.64 |
0.03 |
0 |
|
|
291910 |
113751988 |
1 |
OSN2H14C15 |
ABC2D14E15 |
37.18 |
3.41 |
-8.71 |
-0.7 |
0 |
|
|
291911 |
113769568 |
1 |
ClN4C12H19 |
AB4C12D19 |
21.15 |
3.59 |
-9.1 |
-0.88 |
0 |
|
|
291912 |
113771437 |
1 |
N2C15H30 |
A2B15C30 |
-30.84 |
2.09 |
-8.33 |
1.33 |
0 |
|
|
291913 |
113771443 |
1 |
ON2C14H28 |
AB2C14D28 |
-63.47 |
2.89 |
-8.63 |
1.12 |
0 |
|
|
291914 |
113771555 |
1 |
N2F3C12H23 |
A2B3C12D23 |
-178.43 |
4.95 |
-8.98 |
0.72 |
0 |
|
|
291915 |
113771577 |
1 |
FN2C15H23 |
AB2C15D23 |
-31.04 |
4.92 |
-8.14 |
0.21 |
0 |
|
|
291916 |
113771588 |
2 |
NC8H13 |
AB8C13 |
13.29 |
2.32 |
-7.93 |
0.61 |
0 |
|
|
291917 |
113775684 |
1 |
SN2O2C12H20 |
AB2C2D12E20 |
-65.49 |
5.98 |
-9.08 |
-0.42 |
0 |
|
|
291918 |
113787783 |
1 |
N5C12H17 |
A5B12C17 |
73.19 |
2.46 |
-8.88 |
-1.05 |
0 |
|
|
291919 |
113790399 |
1 |
ON2C14H30 |
AB2C14D30 |
-61.57 |
3.06 |
-8.46 |
1.39 |
0 |
|
|
291920 |
113796942 |
1 |
NOC15H29 |
ABC15D29 |
-79.49 |
1.13 |
-8.79 |
2.32 |
0 |
|
|
291921 |
113797392 |
1 |
NC17H33 |
AB17C33 |
-56.59 |
2.07 |
-8.78 |
1.66 |
0 |
|
|
291922 |
113803087 |
1 |
OSN4C12H18 |
ABC4D12E18 |
-8.8 |
5.39 |
-8.28 |
-0.25 |
0 |
|
|
291923 |
113807800 |
1 |
OSN2F3C10H17 |
ABC2D3E10F17 |
-200.95 |
1.62 |
-9.09 |
-0.89 |
0 |
|
|
291924 |
113810343 |
1 |
ON2C14H24 |
AB2C14D24 |
-36.72 |
2.4 |
-8.98 |
0.43 |
0 |
|
|
291925 |
113826392 |
1 |
ON2C14H20 |
AB2C14D20 |
-29.96 |
4.89 |
-8.59 |
0.22 |
0 |
|
|
291926 |
113854723 |
1 |
SO2N4C11H14 |
AB2C4D11E14 |
-12.21 |
5.98 |
-9.5 |
-1.73 |
0 |
|
|
291927 |
113857613 |
1 |
ON3C14H21 |
AB3C14D21 |
-25.64 |
4.53 |
-8.79 |
-0.49 |
0 |
|
|
291928 |
113857889 |
1 |
SO2N3C11H23 |
AB2C3D11E23 |
-92.23 |
3.91 |
-8.73 |
0.06 |
0 |
|
|
291929 |
113858484 |
1 |
N4C13H24 |
A4B13C24 |
21.55 |
2.54 |
-8.89 |
1.0 |
0 |
|
|
291930 |
113859658 |
1 |
BrFN3C13H13 |
ABC3D13E13 |
7.21 |
4.3 |
-9.41 |
-0.54 |
0 |
|
|
291931 |
113861008 |
1 |
OC17H24 |
AB17C24 |
-45.24 |
1.37 |
-9.09 |
0.57 |
0 |
|
|
291932 |
113861179 |
1 |
NO2C15H31 |
AB2C15D31 |
-144.98 |
2.23 |
-8.76 |
1.88 |
0 |
|
|
291933 |
113862714 |
1 |
N2O7C9H14 |
A2B7C9D14 |
-309.13 |
4.48 |
-10.26 |
-0.39 |
0 |
|
|
291934 |
113862957 |
1 |
FNO3C13H16 |
ABC3D13E16 |
-155.43 |
3.18 |
-8.98 |
-0.27 |
0 |
|
|
291935 |
113862960 |
1 |
NSBr2O4C10H11 |
ABC2D4E10F11 |
-133.63 |
5.89 |
-10.02 |
-1.48 |
0 |
|
|
291936 |
113863002 |
1 |
BrN2O3C12H15 |
AB2C3D12E15 |
-109.44 |
2.07 |
-9.23 |
-0.4 |
0 |
|
|
291937 |
113873744 |
1 |
NSO2C15H19 |
ABC2D15E19 |
-68.43 |
4.11 |
-8.76 |
-0.4 |
0 |
|
|
291938 |
113874228 |
1 |
N2O2H14C15 |
A2B2C14D15 |
4.22 |
3.58 |
-8.69 |
-0.69 |
0 |
|
|
291939 |
113892276 |
1 |
ClNO2H12C15 |
ABC2D12E15 |
-36.61 |
5.39 |
-9.27 |
-0.84 |
0 |
|
|
291940 |
113895042 |
1 |
SO2N4C12H14 |
AB2C4D12E14 |
-1.97 |
3.89 |
-9.02 |
-0.62 |
0 |
|
|
291941 |
113895048 |
1 |
ON3C13H15 |
AB3C13D15 |
40.0 |
1.54 |
-8.48 |
-0.32 |
0 |
|
|
291942 |
113895054 |
2 |
N2C7H11 |
A2B7C11 |
74.31 |
1.32 |
-8.62 |
-0.1 |
0 |
|
|
291943 |
113896587 |
1 |
F3N6C9H11 |
A3B6C9D11 |
-55.93 |
8.67 |
-9.55 |
-1.38 |
0 |
|
|
291944 |
113897066 |
1 |
NO2C15H17 |
AB2C15D17 |
-56.42 |
2.88 |
-7.89 |
-0.01 |
0 |
|
|
291945 |
113899592 |
1 |
NCl2O2F3H4C11 |
AB2C2D3E4F11 |
-167.12 |
3.99 |
-10.02 |
-1.8 |
0 |
|
|
291946 |
113899724 |
1 |
SN5C12H21 |
AB5C12D21 |
35.49 |
2.87 |
-8.59 |
-0.16 |
0 |
|
|
291947 |
113902001 |
1 |
NO3C13H27 |
AB3C13D27 |
-155.82 |
1.92 |
-9.03 |
1.29 |
0 |
|
|
291948 |
113904438 |
1 |
SO2C16H20 |
AB2C16D20 |
-56.22 |
2.55 |
-8.59 |
-0.25 |
0 |
|
|
291949 |
113905467 |
1 |
FN3O3C11H14 |
AB3C3D11E14 |
-131.06 |
2.89 |
-8.94 |
-0.89 |
0 |