List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
29223 |
832411 |
1 |
ON3C20H29 |
AB3C20D29 |
-20.52 |
1.36 |
-8.87 |
-0.61 |
0 |
|
|
29224 |
832413 |
1 |
NO3C13H15 |
AB3C13D15 |
-90.78 |
2.25 |
-8.17 |
-0.65 |
0 |
|
|
29225 |
832433 |
1 |
NO3C19H23 |
AB3C19D23 |
-89.82 |
4.43 |
-8.32 |
-0.21 |
0 |
|
|
29226 |
832441 |
1 |
ClNO3C19H22 |
ABC3D19E22 |
-98.33 |
3.57 |
-8.19 |
-0.53 |
0 |
|
|
29227 |
832446 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-11.85 |
4.31 |
-8.95 |
-0.69 |
0 |
|
|
29228 |
832449 |
1 |
FOSN3H16C18 |
ABCD3E16F18 |
-10.91 |
0.98 |
-8.72 |
-1.25 |
0 |
|
|
29229 |
832450 |
1 |
ClNO3C19H22 |
ABC3D19E22 |
-101.1 |
6.31 |
-8.72 |
-0.29 |
0 |
|
|
29230 |
832452 |
1 |
BrNO3C14H20 |
ABC3D14E20 |
-124.32 |
6.58 |
-8.55 |
-0.18 |
0 |
|
|
29231 |
832453 |
1 |
ClN2O3H17C18 |
AB2C3D17E18 |
-36.8 |
3.37 |
-8.95 |
-0.88 |
0 |
|
|
29232 |
832461 |
1 |
ClNSO3C16H16 |
ABCD3E16F16 |
-81.53 |
3.91 |
-8.9 |
-0.63 |
0 |
|
|
29233 |
832477 |
1 |
N2O3C16H16 |
A2B3C16D16 |
-59.45 |
1.83 |
-9.85 |
-1.39 |
0 |
|
|
29234 |
832479 |
1 |
N2O2C17H18 |
A2B2C17D18 |
5.83 |
2.55 |
-8.9 |
-0.5 |
0 |
|
|
29235 |
832482 |
1 |
NO3C14H15 |
AB3C14D15 |
-71.34 |
5.19 |
-8.89 |
-0.32 |
0 |
|
|
29236 |
832483 |
1 |
ClNO2H12C13 |
ABC2D12E13 |
-40.35 |
3.17 |
-9.59 |
-0.46 |
0 |
|
|
29237 |
832484 |
1 |
ClO5H9C11 |
AB5C9D11 |
-159.65 |
5.41 |
-9.79 |
-1.74 |
0 |
|
|
29238 |
832485 |
1 |
ClO5H9C11 |
AB5C9D11 |
-164.93 |
6.69 |
-9.69 |
-1.4 |
0 |
|
|
29239 |
832486 |
1 |
ClO5H9C11 |
AB5C9D11 |
-160.28 |
7.34 |
-9.81 |
-1.76 |
0 |
|
|
29240 |
832491 |
1 |
BrS2H7C11 |
AB2C7D11 |
55.47 |
2.05 |
-8.55 |
-0.89 |
0 |
|
|
29241 |
832494 |
1 |
O5H12C16 |
A5B12C16 |
-132.01 |
2.2 |
-9.15 |
-0.95 |
0 |
|
|
29242 |
832504 |
2 |
NO2H8C9 |
AB2C8D9 |
-122.09 |
0.27 |
-9.0 |
-0.78 |
0 |
|
|
29243 |
832511 |
1 |
NO4H13C17 |
AB4C13D17 |
-93.23 |
7.55 |
-10.27 |
-1.52 |
0 |
|
|
29244 |
832513 |
1 |
NO3C17H25 |
AB3C17D25 |
-140.16 |
1.65 |
-8.89 |
0.25 |
0 |
|
|
29245 |
832542 |
1 |
OSN3H13C16 |
ABC3D13E16 |
42.0 |
3.26 |
-8.93 |
-0.9 |
0 |
|
|
29246 |
832553 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-76.75 |
1.75 |
-8.22 |
-1.73 |
0 |
|
|
29247 |
832558 |
1 |
ON2H16C17 |
AB2C16D17 |
34.18 |
2.68 |
-8.53 |
-0.2 |
0 |
|
|
29248 |
832561 |
2 |
NOC8H8 |
ABC8D8 |
-45.92 |
2.71 |
-8.88 |
-0.31 |
0 |
|
|
29249 |
832564 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
21.35 |
4.67 |
-8.88 |
-0.76 |
0 |
|
|
29250 |
832580 |
1 |
NOH15C18 |
ABC15D18 |
34.63 |
2.97 |
-8.5 |
-0.93 |
0 |
|
|
29251 |
832589 |
1 |
NCl2O2H15C16 |
AB2C2D15E16 |
-64.66 |
1.63 |
-8.76 |
-0.66 |
0 |
|
|
29252 |
832601 |
1 |
ClNOH14C16 |
ABCD14E16 |
11.82 |
1.87 |
-9.0 |
-0.3 |
0 |
|
|
29253 |
832612 |
1 |
NOC17H17 |
ABC17D17 |
11.52 |
3.8 |
-8.51 |
0.0 |
0 |
|
|
29254 |
832632 |
1 |
NOC18H19 |
ABC18D19 |
-4.09 |
4.13 |
-8.42 |
-0.34 |
0 |
|
|
29255 |
832635 |
1 |
NO2H19C22 |
AB2C19D22 |
-11.32 |
6.68 |
-9.19 |
-0.67 |
0 |
|
|
29256 |
832637 |
2 |
NO2H7C10 |
AB2C7D10 |
-0.42 |
8.69 |
-9.47 |
-1.83 |
0 |
|
|
29257 |
832638 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-90.57 |
3.92 |
-9.16 |
-0.38 |
0 |
|
|
29258 |
832639 |
1 |
NO3C17H21 |
AB3C17D21 |
-113.41 |
5.89 |
-9.15 |
-0.53 |
0 |
|
|
29259 |
832646 |
1 |
ON2C17H22 |
AB2C17D22 |
-6.04 |
1.8 |
-9.25 |
-0.72 |
0 |
|
|
29260 |
832656 |
1 |
O2N4H18C19 |
A2B4C18D19 |
3.93 |
5.43 |
-8.3 |
-0.51 |
0 |
|
|
29261 |
832661 |
1 |
O3C16H18 |
A3B16C18 |
-97.77 |
4.92 |
-9.53 |
-0.59 |
0 |
|
|
29262 |
832706 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-30.97 |
7.32 |
-8.69 |
-1.03 |
0 |
|
|
29263 |
832719 |
1 |
FNOC12H16 |
ABCD12E16 |
-74.65 |
2.2 |
-9.16 |
0.03 |
0 |
|
|
29264 |
832724 |
1 |
ClNC15H16 |
ABC15D16 |
31.22 |
1.16 |
-9.15 |
0.02 |
0 |
|
|
29265 |
832725 |
1 |
ClNC15H16 |
ABC15D16 |
32.68 |
0.53 |
-9.07 |
-0.1 |
0 |
|
|
29266 |
832726 |
1 |
NO2C13H19 |
AB2C13D19 |
-66.46 |
2.3 |
-8.62 |
0.32 |
0 |
|
|
29267 |
832727 |
1 |
NO2C13H19 |
AB2C13D19 |
-67.22 |
3.52 |
-8.6 |
0.35 |
0 |
|
|
29268 |
832735 |
1 |
FNOH14C19 |
ABCD14E19 |
-9.35 |
4.96 |
-8.92 |
-0.74 |
0 |
|
|
29269 |
832737 |
2 |
NOH8C10 |
ABC8D10 |
-5.59 |
5.84 |
-9.17 |
-0.82 |
0 |
|
|
29270 |
832739 |
2 |
NOH8C10 |
ABC8D10 |
-7.83 |
2.52 |
-8.99 |
-0.66 |
0 |
|
|
29271 |
832741 |
1 |
NOC17H19 |
ABC17D19 |
-12.98 |
3.61 |
-8.97 |
-0.57 |
0 |
|
|
29272 |
832746 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-117.83 |
9.83 |
-9.33 |
-0.64 |
0 |