List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
312867 |
126609306 |
2 |
Cl2O2N4H11C15 |
A2B2C4D11E15 |
33.06 |
10.68 |
-8.91 |
-1.21 |
0 |
|
|
312868 |
126609307 |
1 |
N2S2Cl4O6H16C25 |
A2B2C4D6E16F25 |
-154.71 |
9.23 |
-9.01 |
-1.28 |
0 |
|
|
312869 |
126609309 |
2 |
N4O4C19H19 |
A4B4C19D19 |
-148.65 |
7.82 |
-8.83 |
-0.88 |
0 |
|
|
312870 |
126609311 |
1 |
NPO4C21H38 |
ABC4D21E38 |
-183.32 |
2.38 |
-7.93 |
0.64 |
0 |
|
|
312871 |
126609347 |
1 |
BrN3C8H10 |
AB3C8D10 |
53.63 |
2.96 |
-8.99 |
-0.52 |
0 |
|
|
312872 |
126609357 |
1 |
S2O9N11C44H55 |
A2B9C11D44E55 |
-237.97 |
11.55 |
-8.41 |
-1.07 |
0 |
|
|
312873 |
126609362 |
1 |
IN6O8C19H35 |
AB6C8D19E35 |
-290.97 |
3.54 |
-8.21 |
-1.48 |
0 |
|
|
312874 |
126609364 |
1 |
IN5C12H16 |
AB5C12D16 |
70.21 |
1.41 |
-8.96 |
-1.38 |
0 |
|
|
312875 |
126609366 |
1 |
N6O9C37H70 |
A6B9C37D70 |
-449.01 |
2.38 |
-8.66 |
0.73 |
0 |
|
|
312876 |
126609369 |
4 |
O2C5H7 |
A2B5C7 |
-337.83 |
0.19 |
-10.82 |
-0.83 |
0 |
|
|
312877 |
126609372 |
1 |
ClSN2O3C22H23 |
ABC2D3E22F23 |
-68.84 |
2.48 |
-8.81 |
-0.73 |
0 |
|
|
312878 |
126609404 |
1 |
SN2O6H18C21 |
AB2C6D18E21 |
-189.85 |
2.52 |
-9.08 |
-1.29 |
0 |
|
|
312879 |
126609405 |
1 |
NCl2S2O3H11C13 |
AB2C2D3E11F13 |
-99.8 |
2.61 |
-9.25 |
-1.29 |
0 |
|
|
312880 |
126609413 |
1 |
N2S2O7H16C21 |
A2B2C7D16E21 |
-196.99 |
5.87 |
-9.08 |
-2.07 |
0 |
|
|
312881 |
126609420 |
1 |
NSO5C17H17 |
ABC5D17E17 |
-187.79 |
9.3 |
-8.91 |
-1.35 |
0 |
|
|
312882 |
126609446 |
4 |
NO2H5C7 |
AB2C5D7 |
-44.67 |
1.79 |
-8.96 |
-2.1 |
0 |
|
|
312883 |
126609478 |
5 |
NO3C11H11 |
AB3C11D11 |
-479.13 |
12.17 |
-8.33 |
-1.71 |
0 |
|
|
312884 |
126609485 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-43.99 |
4.77 |
-9.04 |
-0.81 |
0 |
|
|
312885 |
126609494 |
1 |
N3O5C26H27 |
A3B5C26D27 |
-46.37 |
5.71 |
-9.02 |
-1.78 |
0 |
|
|
312886 |
126609499 |
1 |
N8O11C51H52 |
A8B11C51D52 |
-317.27 |
11.59 |
-8.42 |
-1.67 |
0 |
|
|
312887 |
126609503 |
1 |
N3C6H17 |
A3B6C17 |
5.42 |
2.1 |
-8.38 |
2.72 |
0 |
|
|
312888 |
126609507 |
1 |
SN2C5H14 |
AB2C5D14 |
-5.83 |
1.86 |
-8.68 |
0.28 |
0 |
|
|
312889 |
126609510 |
1 |
O2C13H18 |
A2B13C18 |
-76.18 |
1.12 |
-8.53 |
0.19 |
0 |
|
|
312890 |
126609517 |
1 |
N3C10H17 |
A3B10C17 |
43.32 |
3.77 |
-8.68 |
0.0 |
0 |
|
|
312891 |
126609537 |
1 |
FN2O3C24H25 |
AB2C3D24E25 |
-79.79 |
5.62 |
-8.71 |
-0.77 |
0 |
|
|
312892 |
126609555 |
1 |
O2N3H23C25 |
A2B3C23D25 |
36.04 |
7.51 |
-8.07 |
-0.33 |
0 |
|
|
312893 |
126609556 |
1 |
N2O4H26C27 |
A2B4C26D27 |
-72.62 |
5.94 |
-8.19 |
-0.6 |
0 |
|
|
312894 |
126609557 |
1 |
N3O5H25C27 |
A3B5C25D27 |
-24.52 |
5.89 |
-8.94 |
-1.62 |
0 |
|
|
312895 |
126609563 |
1 |
N2O3H16C20 |
A2B3C16D20 |
-15.17 |
3.94 |
-8.78 |
-1.31 |
0 |
|
|
312896 |
126609595 |
1 |
N3C11H19 |
A3B11C19 |
27.84 |
1.87 |
-8.84 |
0.03 |
0 |
|
|
312897 |
126609596 |
1 |
NC13H17 |
AB13C17 |
22.07 |
3.62 |
-9.11 |
0.36 |
0 |
|
|
312898 |
126609604 |
1 |
N3O7C41H45 |
A3B7C41D45 |
-143.48 |
3.44 |
-9.04 |
-1.19 |
0 |
|
|
312899 |
126609605 |
1 |
N2O3H22C24 |
A2B3C22D24 |
7.66 |
4.22 |
-8.36 |
-0.71 |
0 |
|
|
312900 |
126609612 |
1 |
NO2C31H65 |
AB2C31D65 |
-208.51 |
0.99 |
-8.66 |
1.97 |
0 |
|
|
312901 |
126609614 |
3 |
NC4H7 |
AB4C7 |
24.61 |
1.86 |
-8.89 |
0.02 |
0 |
|
|
312902 |
126609617 |
1 |
FSO5C16H25 |
ABC5D16E25 |
-311.01 |
4.62 |
-10.46 |
-0.04 |
0 |
|
|
312903 |
126609637 |
1 |
N2O18C103H118 |
A2B18C103D118 |
-513.52 |
4.05 |
-8.74 |
0.04 |
0 |
|
|
312904 |
126609644 |
1 |
O9H46C54 |
A9B46C54 |
-149.57 |
1.74 |
-8.93 |
-0.58 |
0 |
|
|
312905 |
126609645 |
1 |
N4O32C69H88 |
A4B32C69D88 |
-1361.72 |
7.29 |
-10.54 |
-1.73 |
0 |
|
|
312906 |
126609646 |
2 |
N4O8C91H145 |
A4B8C91D145 |
-1053.92 |
2.94 |
-9.83 |
-2.43 |
0 |
|
|
312907 |
126609684 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-24.59 |
5.86 |
-8.65 |
-0.96 |
0 |
|
|
312908 |
126609707 |
1 |
BrO2H13C24 |
AB2C13D24 |
47.56 |
2.81 |
-8.81 |
-0.99 |
0 |
|
|
312909 |
126609752 |
1 |
N3O3C26H27 |
A3B3C26D27 |
-7.97 |
3.83 |
-8.92 |
-1.26 |
0 |
|
|
312910 |
126609807 |
1 |
ON2S2H12C15 |
AB2C2D12E15 |
37.13 |
2.65 |
-8.66 |
-1.28 |
0 |
|
|
312911 |
126609858 |
1 |
NF2O3H21C26 |
AB2C3D21E26 |
-148.13 |
0.49 |
-8.94 |
-1.04 |
0 |
|
|
312912 |
126609859 |
1 |
NSF2O3H19C25 |
ABC2D3E19F25 |
-146.6 |
4.83 |
-8.63 |
-1.18 |
0 |
|
|
312913 |
126609883 |
1 |
O3C10H16 |
A3B10C16 |
-134.06 |
0.69 |
-9.74 |
-0.32 |
0 |
|
|
312914 |
126609886 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-4.65 |
2.21 |
-8.39 |
-0.29 |
0 |
|
|
312915 |
126609898 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-73.65 |
2.55 |
-9.7 |
-1.38 |
0 |
|
|
312916 |
126609900 |
1 |
N2O3C14H14 |
A2B3C14D14 |
-66.1 |
5.44 |
-9.8 |
-1.52 |
0 |