List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
29023 |
831183 |
1 |
BrO4H11C13 |
AB4C11D13 |
-105.62 |
4.18 |
-9.72 |
-1.05 |
0 |
|
|
29024 |
831193 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-54.2 |
5.61 |
-8.52 |
-0.6 |
0 |
|
|
29025 |
831195 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-28.03 |
5.21 |
-8.7 |
-0.11 |
0 |
|
|
29026 |
831197 |
1 |
N2O3H14C16 |
A2B3C14D16 |
-27.65 |
6.73 |
-9.5 |
-0.73 |
0 |
|
|
29027 |
831205 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-43.34 |
7.92 |
-8.62 |
-0.65 |
0 |
|
|
29028 |
831207 |
1 |
NO4C18H21 |
AB4C18D21 |
-118.13 |
3.92 |
-8.59 |
-0.16 |
0 |
|
|
29029 |
831220 |
1 |
NO2H13C16 |
AB2C13D16 |
-13.99 |
4.91 |
-8.49 |
-0.67 |
0 |
|
|
29030 |
831236 |
1 |
ON5H19C20 |
AB5C19D20 |
112.67 |
4.88 |
-8.8 |
-0.82 |
0 |
|
|
29031 |
831238 |
2 |
OC7H8 |
AB7C8 |
-55.52 |
3.48 |
-8.84 |
0.02 |
0 |
|
|
29032 |
831239 |
2 |
OC7H8 |
AB7C8 |
-54.14 |
2.26 |
-8.66 |
0.27 |
0 |
|
|
29033 |
831240 |
1 |
NO3H15C18 |
AB3C15D18 |
31.49 |
2.02 |
-9.64 |
-1.66 |
0 |
|
|
29034 |
831261 |
1 |
Cl2N3C17H17 |
A2B3C17D17 |
59.53 |
2.12 |
-9.03 |
-0.38 |
0 |
|
|
29035 |
831262 |
1 |
NO3C12H15 |
AB3C12D15 |
-129.44 |
1.66 |
-9.36 |
-0.95 |
0 |
|
|
29036 |
831264 |
1 |
NSO3C17H19 |
ABC3D17E19 |
-105.79 |
5.78 |
-8.74 |
-0.58 |
0 |
|
|
29037 |
831273 |
1 |
ClSN3H14C16 |
ABC3D14E16 |
57.78 |
3.58 |
-8.66 |
-0.92 |
0 |
|
|
29038 |
831293 |
4 |
OC4H5 |
AB4C5 |
-137.23 |
3.25 |
-8.68 |
-0.45 |
0 |
|
|
29039 |
831294 |
2 |
NOH9C10 |
ABC9D10 |
24.19 |
3.67 |
-8.8 |
-0.58 |
0 |
|
|
29040 |
831295 |
1 |
O2N4H16C19 |
A2B4C16D19 |
55.92 |
11.74 |
-8.48 |
-0.63 |
0 |
|
|
29041 |
831298 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-31.58 |
4.09 |
-8.54 |
-0.38 |
0 |
|
|
29042 |
831299 |
1 |
N2O5H12C17 |
A2B5C12D17 |
-28.07 |
4.34 |
-9.23 |
-1.74 |
0 |
|
|
29043 |
831302 |
1 |
ClSN2O2H9C16 |
ABC2D2E9F16 |
14.51 |
1.68 |
-9.14 |
-1.62 |
0 |
|
|
29044 |
831307 |
1 |
N2O5C17H18 |
A2B5C17D18 |
-87.06 |
7.84 |
-8.58 |
-0.94 |
0 |
|
|
29045 |
831308 |
1 |
ClOSN2H11C15 |
ABCD2E11F15 |
52.18 |
5.61 |
-8.75 |
-1.74 |
0 |
|
|
29046 |
831315 |
1 |
FNO4H16C18 |
ABC4D16E18 |
-155.36 |
2.63 |
-9.43 |
-1.07 |
0 |
|
|
29047 |
831316 |
1 |
OSN2H16C20 |
ABC2D16E20 |
64.31 |
3.01 |
-8.49 |
-1.28 |
0 |
|
|
29048 |
831320 |
1 |
SN3O4H15C16 |
AB3C4D15E16 |
-24.13 |
9.64 |
-9.62 |
-1.49 |
0 |
|
|
29049 |
831321 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-168.0 |
4.15 |
-9.77 |
-0.73 |
0 |
|
|
29050 |
831323 |
1 |
SN3H15C16 |
AB3C15D16 |
96.04 |
4.69 |
-8.31 |
-1.09 |
0 |
|
|
29051 |
831345 |
1 |
NOS2H15C17 |
ABC2D15E17 |
26.32 |
3.34 |
-8.85 |
-0.87 |
0 |
|
|
29052 |
831346 |
1 |
ClNOC15H20 |
ABCD15E20 |
-51.85 |
4.46 |
-8.78 |
-0.02 |
0 |
|
|
29053 |
831347 |
1 |
N2O5H14C17 |
A2B5C14D17 |
-113.05 |
6.68 |
-9.5 |
-1.26 |
0 |
|
|
29054 |
831350 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-113.21 |
4.1 |
-9.68 |
-0.76 |
0 |
|
|
29055 |
831356 |
1 |
NSO3H17C18 |
ABC3D17E18 |
-46.31 |
3.88 |
-8.51 |
-1.46 |
0 |
|
|
29056 |
831359 |
1 |
NO2C13H13 |
AB2C13D13 |
-41.23 |
4.52 |
-8.54 |
-0.46 |
0 |
|
|
29057 |
831362 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-121.96 |
3.11 |
-9.4 |
-1.43 |
0 |
|
|
29058 |
831363 |
1 |
N4O4C13H16 |
A4B4C13D16 |
-121.95 |
3.09 |
-9.4 |
-1.43 |
0 |
|
|
29059 |
831373 |
1 |
NCl2O3H13C14 |
AB2C3D13E14 |
-115.82 |
2.03 |
-9.19 |
-0.71 |
0 |
|
|
29060 |
831374 |
1 |
ON3H15C17 |
AB3C15D17 |
56.01 |
4.81 |
-8.95 |
-0.17 |
0 |
|
|
29061 |
831376 |
1 |
NO3C15H17 |
AB3C15D17 |
-112.13 |
6.6 |
-8.95 |
-0.22 |
0 |
|
|
29062 |
831381 |
1 |
NO3C15H15 |
AB3C15D15 |
-89.08 |
4.16 |
-8.77 |
-0.22 |
0 |
|
|
29063 |
831390 |
1 |
N3O4H13C16 |
A3B4C13D16 |
-23.56 |
4.99 |
-8.44 |
-2.05 |
0 |
|
|
29064 |
831391 |
1 |
N3O5H15C17 |
A3B5C15D17 |
-60.39 |
4.44 |
-8.2 |
-2.05 |
0 |
|
|
29065 |
831392 |
1 |
N3O4H15C17 |
A3B4C15D17 |
-32.66 |
5.36 |
-8.38 |
-2.02 |
0 |
|
|
29066 |
831395 |
1 |
BrON2H11C16 |
ABC2D11E16 |
37.64 |
3.51 |
-8.78 |
-1.06 |
0 |
|
|
29067 |
831396 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-153.3 |
6.75 |
-8.44 |
-0.12 |
0 |
|
|
29068 |
831408 |
1 |
BrON2H11C16 |
ABC2D11E16 |
37.33 |
0.74 |
-9.02 |
-0.98 |
0 |
|
|
29069 |
831417 |
1 |
N3O4H13C16 |
A3B4C13D16 |
-24.28 |
3.95 |
-9.97 |
-1.62 |
0 |
|
|
29070 |
831421 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-25.14 |
9.45 |
-9.53 |
-1.38 |
0 |
|
|
29071 |
831430 |
2 |
N2O2H5C8 |
A2B2C5D8 |
18.03 |
4.9 |
-8.83 |
-2.64 |
0 |
|
|
29072 |
831440 |
1 |
NOC17H23 |
ABC17D23 |
-41.02 |
3.54 |
-9.45 |
-0.25 |
0 |