List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
183991 |
77100836 |
1 |
NO4C10H15 |
AB4C10D15 |
-166.06 |
5.86 |
-10.06 |
-0.43 |
0 |
|
|
183992 |
77100837 |
1 |
N3O4C11H15 |
A3B4C11D15 |
-63.77 |
6.41 |
-10.37 |
-0.89 |
0 |
|
|
183993 |
77100838 |
1 |
N3O4C12H17 |
A3B4C12D17 |
-65.71 |
6.31 |
-10.17 |
-0.79 |
0 |
|
|
183994 |
77100898 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-81.29 |
3.84 |
-8.52 |
0.11 |
0 |
|
|
183995 |
77100899 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-94.34 |
5.86 |
-8.44 |
0.07 |
0 |
|
|
183996 |
77101018 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-9.33 |
7.05 |
-8.8 |
-2.22 |
0 |
|
|
183997 |
77101019 |
1 |
NO3C14H19 |
AB3C14D19 |
-100.53 |
6.62 |
-10.16 |
-0.24 |
0 |
|
|
183998 |
77101020 |
1 |
O3C18H26 |
A3B18C26 |
-132.22 |
1.58 |
-8.67 |
-0.22 |
0 |
|
|
183999 |
77101184 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-56.08 |
4.59 |
-9.59 |
-0.37 |
0 |
|
|
184000 |
77101185 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-139.66 |
3.92 |
-8.97 |
-0.03 |
0 |
|
|
184001 |
77101186 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-137.57 |
8.71 |
-9.05 |
0.04 |
0 |
|
|
184002 |
77101187 |
1 |
NO3C13H17 |
AB3C13D17 |
-99.08 |
4.4 |
-8.6 |
-0.18 |
0 |
|
|
184003 |
77101188 |
1 |
NO2C18H31 |
AB2C18D31 |
-117.65 |
4.68 |
-8.62 |
-0.2 |
0 |
|
|
184004 |
77101190 |
1 |
NO2C15H21 |
AB2C15D21 |
-69.69 |
6.12 |
-9.27 |
0.07 |
0 |
|
|
184005 |
77101191 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-109.44 |
2.23 |
-9.21 |
-0.23 |
0 |
|
|
184006 |
77101524 |
1 |
NSO2C12H17 |
ABC2D12E17 |
-52.39 |
3.28 |
-8.99 |
-0.12 |
0 |
|
|
184007 |
77101547 |
1 |
FNO2C13H16 |
ABC2D13E16 |
-102.74 |
3.74 |
-8.81 |
-0.22 |
0 |
|
|
184008 |
77101548 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-107.46 |
2.86 |
-9.23 |
-0.18 |
0 |
|
|
184009 |
77101549 |
1 |
NO2C13H23 |
AB2C13D23 |
-104.46 |
6.07 |
-8.98 |
0.18 |
0 |
|
|
184010 |
77101550 |
1 |
NO3C13H23 |
AB3C13D23 |
-134.85 |
1.3 |
-9.03 |
-0.26 |
0 |
|
|
184011 |
77101598 |
1 |
SO3C12H20 |
AB3C12D20 |
-138.97 |
2.14 |
-8.95 |
-0.29 |
0 |
|
|
184012 |
77101686 |
1 |
O3C16H20 |
A3B16C20 |
-87.11 |
1.62 |
-8.86 |
-0.28 |
0 |
|
|
184013 |
77101687 |
3 |
OC5H6 |
AB5C6 |
-85.22 |
4.77 |
-8.98 |
-0.23 |
0 |
|
|
184014 |
77102048 |
1 |
SO3C12H14 |
AB3C12D14 |
-104.33 |
7.23 |
-8.78 |
-0.6 |
0 |
|
|
184015 |
77102098 |
1 |
NSO2C12H21 |
ABC2D12E21 |
-87.0 |
1.64 |
-8.53 |
-0.19 |
0 |
|
|
184016 |
77102200 |
1 |
NSO4C11H19 |
ABC4D11E19 |
-170.14 |
2.88 |
-9.77 |
-0.28 |
0 |
|
|
184017 |
77102201 |
1 |
NSO4C10H17 |
ABC4D10E17 |
-165.37 |
4.72 |
-9.9 |
-0.3 |
0 |
|
|
184018 |
77102267 |
1 |
SN2O3C10H14 |
AB2C3D10E14 |
-73.4 |
3.68 |
-9.28 |
-0.68 |
0 |
|
|
184019 |
77102315 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-87.85 |
5.63 |
-9.17 |
0.09 |
0 |
|
|
184020 |
77102316 |
2 |
NOC6H11 |
ABC6D11 |
-93.7 |
2.52 |
-8.8 |
-0.04 |
0 |
|
|
184021 |
77102317 |
1 |
NO3C14H21 |
AB3C14D21 |
-101.04 |
3.95 |
-9.01 |
0.09 |
0 |
|
|
184022 |
77102318 |
1 |
NO3C13H19 |
AB3C13D19 |
-100.97 |
3.51 |
-9.05 |
-0.39 |
0 |
|
|
184023 |
77102319 |
1 |
NO3C14H25 |
AB3C14D25 |
-143.42 |
3.11 |
-8.74 |
-0.04 |
0 |
|
|
184024 |
77102320 |
1 |
NO3C11H21 |
AB3C11D21 |
-129.69 |
6.64 |
-9.2 |
0.2 |
0 |
|
|
184025 |
77102321 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-53.14 |
3.44 |
-9.21 |
-0.21 |
0 |
|
|
184026 |
77102322 |
2 |
NOC7H10 |
ABC7D10 |
-55.15 |
7.94 |
-9.43 |
-0.16 |
0 |
|
|
184027 |
77102323 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-138.26 |
3.75 |
-8.94 |
0.04 |
0 |
|
|
184028 |
77102324 |
1 |
NO3C15H27 |
AB3C15D27 |
-140.32 |
3.98 |
-8.75 |
0.05 |
0 |
|
|
184029 |
77102325 |
1 |
NO3C14H25 |
AB3C14D25 |
-140.1 |
7.54 |
-8.89 |
0.04 |
0 |
|
|
184030 |
77102326 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-144.23 |
6.17 |
-9.54 |
-0.3 |
0 |
|
|
184031 |
77102486 |
1 |
O2F3N4C8H9 |
A2B3C4D8E9 |
-122.36 |
3.71 |
-9.12 |
-2.07 |
0 |
|
|
184032 |
77102487 |
1 |
O2F3N4C8H9 |
A2B3C4D8E9 |
-125.13 |
4.36 |
-9.17 |
-2.37 |
0 |
|
|
184033 |
77102583 |
1 |
ON6C13H18 |
AB6C13D18 |
18.13 |
6.33 |
-8.38 |
-0.7 |
0 |
|
|
184034 |
77102584 |
1 |
ON7C13H19 |
AB7C13D19 |
52.8 |
4.33 |
-8.43 |
-0.12 |
0 |
|
|
184035 |
77102895 |
1 |
IN2O2C10H13 |
AB2C2D10E13 |
-66.14 |
5.43 |
-10.31 |
-2.24 |
0 |
|
|
184036 |
77103214 |
1 |
BrON3C14H16 |
ABC3D14E16 |
29.21 |
11.48 |
-8.59 |
-1.98 |
0 |
|
|
184037 |
77103215 |
1 |
ION3C15H18 |
ABC3D15E18 |
25.94 |
7.86 |
-8.31 |
-2.38 |
0 |
|
|
184038 |
77103264 |
1 |
BrO2N3C14H14 |
AB2C3D14E14 |
23.44 |
8.39 |
-8.25 |
-1.99 |
0 |
|
|
184039 |
77103265 |
1 |
BrON3C15H16 |
ABC3D15E16 |
42.72 |
7.26 |
-8.38 |
-1.96 |
0 |
|
|
184040 |
77103266 |
1 |
BrClON3C14H15 |
ABCD3E14F15 |
15.75 |
13.2 |
-8.41 |
-2.07 |
0 |