List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
411855 |
135084700 |
1 |
ON2C13H16 |
AB2C13D16 |
-16.02 |
3.36 |
-8.33 |
-0.1 |
0 |
|
|
411856 |
135084701 |
2 |
NO2H14C16 |
AB2C14D16 |
-17.95 |
7.0 |
-7.88 |
-0.69 |
0 |
|
|
411857 |
135084702 |
1 |
NO2Si2F20H33C54 |
AB2C2D20E33F54 |
-863.5 |
4.25 |
-8.85 |
-1.46 |
0 |
|
|
411858 |
135084703 |
1 |
CaNPbPdO7H13C14 |
ABCDE7F13G14 |
-155.02 |
22.93 |
-7.98 |
-2.89 |
0 |
|
|
411859 |
135084704 |
1 |
NPPdO2C20H34 |
ABCD2E20F34 |
-41.59 |
4.71 |
-7.35 |
0.57 |
0 |
|
|
411860 |
135084705 |
1 |
NO2C13H17 |
AB2C13D17 |
-66.24 |
2.88 |
-8.7 |
-0.02 |
0 |
|
|
411861 |
135084706 |
1 |
ClIN3O3C28H33 |
ABC3D3E28F33 |
-67.19 |
11.42 |
-7.95 |
-1.42 |
1 |
|
|
411862 |
135084707 |
1 |
N4C24H25 |
A4B24C25 |
80.11 |
4.04 |
0.0 |
0.0 |
0 |
|
|
411863 |
135084708 |
1 |
PN2O2C32H33 |
AB2C2D32E33 |
16.63 |
2.16 |
-8.61 |
-0.68 |
0 |
|
|
411864 |
135084709 |
1 |
BrNPO2H37C43 |
ABCD2E37F43 |
41.29 |
1.68 |
-8.48 |
-0.7 |
0 |
|
|
411865 |
135084710 |
1 |
ClPF4N4C34H36 |
ABC4D4E34F36 |
-164.74 |
5.14 |
-9.3 |
-0.4 |
0 |
|
|
411866 |
135084711 |
1 |
PO2N4C41H53 |
AB2C4D41E53 |
-66.9 |
2.11 |
-8.64 |
0.14 |
0 |
|
|
411868 |
135084713 |
1 |
BrON2C38H41 |
ABC2D38E41 |
75.97 |
9.2 |
-7.99 |
-1.5 |
2 |
|
|
411869 |
135084714 |
2 |
ON2C26H30 |
AB2C26D30 |
127.87 |
11.56 |
-6.35 |
-1.33 |
2 |
|
|
411870 |
135084715 |
2 |
ON2C26H30 |
AB2C26D30 |
139.18 |
17.31 |
-5.65 |
-1.59 |
0 |
|
|
411871 |
135084716 |
2 |
BrON2C26H30 |
ABC2D26E30 |
93.61 |
16.76 |
-7.0 |
-0.82 |
0 |
|
|
411872 |
135084717 |
1 |
Br2O2N4C57H66 |
A2B2C4D57E66 |
98.07 |
16.45 |
-8.02 |
-1.26 |
2 |
|
|
411873 |
135084718 |
2 |
ON2C28H31 |
AB2C28D31 |
153.36 |
13.9 |
-6.04 |
-1.62 |
0 |
|
|
411874 |
135084719 |
2 |
BrON2C28H31 |
ABC2D28E31 |
114.21 |
9.62 |
-7.93 |
-1.64 |
2 |
|
|
411875 |
135084720 |
2 |
ON2C28H31 |
AB2C28D31 |
157.64 |
16.67 |
-5.98 |
-1.24 |
2 |
|
|
411876 |
135084721 |
2 |
ON2C28H31 |
AB2C28D31 |
161.5 |
27.85 |
-5.66 |
-1.89 |
0 |
|
|
411877 |
135084722 |
2 |
BrON2C28H31 |
ABC2D28E31 |
116.3 |
16.61 |
-6.99 |
-1.51 |
2 |
|
|
411878 |
135084723 |
2 |
ON2C28H31 |
AB2C28D31 |
151.02 |
9.13 |
-5.89 |
-1.3 |
0 |
|
|
411879 |
135084724 |
2 |
BrON2C29H32 |
ABC2D29E32 |
128.71 |
24.29 |
-6.73 |
-1.53 |
2 |
|
|
411880 |
135084725 |
2 |
ON2C29H32 |
AB2C29D32 |
172.21 |
23.45 |
-5.84 |
-1.8 |
1 |
|
|
411881 |
135084726 |
1 |
BrO2N4C56H66 |
AB2C4D56E66 |
83.79 |
12.7 |
0.0 |
0.0 |
0 |
|
|
411882 |
135084727 |
1 |
BrON2C37H39 |
ABC2D37E39 |
97.98 |
13.18 |
-6.81 |
-1.15 |
1 |
|
|
411883 |
135084728 |
1 |
ON2C37H39 |
AB2C37D39 |
75.27 |
3.57 |
0.0 |
0.0 |
0 |
|
|
411884 |
135084729 |
1 |
BrN2O2C38H51 |
AB2C2D38E51 |
-21.5 |
13.46 |
-7.69 |
-1.36 |
1 |
|
|
411885 |
135084730 |
1 |
N2O2C38H51 |
A2B2C38D51 |
-2.52 |
2.65 |
0.0 |
0.0 |
0 |
|
|
411886 |
135084735 |
1 |
N2O3C29H32 |
A2B3C29D32 |
-82.68 |
4.57 |
-8.94 |
-0.45 |
-2 |
|
|
411888 |
135084740 |
1 |
BrNO4C18H18 |
ABC4D18E18 |
-152.54 |
3.64 |
-9.82 |
-1.91 |
0 |
|
|
411890 |
135084742 |
1 |
Rh2O7C33H45 |
A2B7C33D45 |
-354.38 |
26.65 |
0.0 |
0.0 |
0 |
|
|
411891 |
135084743 |
1 |
O3C17H24 |
A3B17C24 |
-149.02 |
6.36 |
-9.42 |
0.22 |
0 |
|
|
411894 |
135084746 |
1 |
AuClNPO4C46H47 |
ABCDE4F46G47 |
-42.4 |
6.97 |
0.0 |
0.0 |
0 |
|
|
411895 |
135084747 |
1 |
PdN4C10H18 |
AB4C10D18 |
120.48 |
0.89 |
-7.01 |
1.32 |
-1 |
|
|
411896 |
135084748 |
1 |
AuClN2C10H13 |
ABC2D10E13 |
71.89 |
15.58 |
0.0 |
0.0 |
0 |
|
|
411897 |
135084749 |
2 |
NC5H7 |
AB5C7 |
32.74 |
2.65 |
-7.22 |
0.39 |
0 |
|
|
411899 |
135084751 |
1 |
LiNZnMg2Cl5C9H18 |
ABCD2E5F9G18 |
-444.0 |
11.53 |
0.0 |
0.0 |
-1 |
|
|
411900 |
135084752 |
1 |
NZnLi2Mg2Cl6C9H18 |
ABC2D2E6F9G18 |
-685.59 |
11.73 |
0.0 |
0.0 |
0 |
|
|
411902 |
135084754 |
1 |
IO8C35H35 |
AB8C35D35 |
-229.66 |
5.6 |
-8.74 |
-1.29 |
0 |
|
|
411904 |
135084756 |
1 |
N5H35C47 |
A5B35C47 |
325.95 |
4.38 |
-7.47 |
-1.64 |
0 |
|
|
411906 |
135084760 |
1 |
NO2H9C10 |
AB2C9D10 |
-54.59 |
4.29 |
-8.65 |
-0.78 |
0 |
|
|
411907 |
135084761 |
1 |
OC14H14 |
AB14C14 |
57.03 |
1.35 |
-9.61 |
0.19 |
0 |
|
|
411908 |
135084762 |
1 |
NSO2H9C10 |
ABC2D9E10 |
64.69 |
4.4 |
-8.52 |
-1.2 |
0 |
|
|
411909 |
135084763 |
1 |
O3C13H18 |
A3B13C18 |
-97.65 |
1.96 |
-9.97 |
-0.58 |
0 |
|
|
411910 |
135084766 |
1 |
OC14H22 |
AB14C22 |
-19.32 |
3.32 |
-9.72 |
0.05 |
0 |
|
|
411911 |
135084767 |
1 |
Br3F3H4C9 |
A3B3C4D9 |
-114.05 |
2.26 |
-10.1 |
-1.25 |
0 |
|
|
411912 |
135084768 |
1 |
C17H18 |
A17B18 |
69.28 |
1.61 |
-8.83 |
0.3 |
0 |
|
|
411913 |
135084769 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-32.1 |
3.15 |
-8.8 |
-0.82 |
0 |