List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
53279 |
14710054 |
2 |
SC23H30 |
AB23C30 |
-16.61 |
0.99 |
-8.46 |
0.12 |
0 |
|
|
53280 |
14710058 |
1 |
O3C12H14 |
A3B12C14 |
-104.83 |
4.68 |
-9.81 |
-0.2 |
0 |
|
|
53281 |
14710076 |
1 |
ClO4C16H19 |
AB4C16D19 |
-153.98 |
4.18 |
-9.86 |
-0.21 |
0 |
|
|
53282 |
14710081 |
1 |
ClO4C8H13 |
AB4C8D13 |
-205.21 |
4.15 |
-10.79 |
-0.74 |
0 |
|
|
53283 |
14710083 |
1 |
ClO4C8H13 |
AB4C8D13 |
-205.99 |
3.96 |
-10.8 |
-0.63 |
0 |
|
|
53284 |
14710084 |
1 |
ClO4H19C20 |
AB4C19D20 |
-120.74 |
2.98 |
-9.4 |
-0.66 |
0 |
|
|
53285 |
14710092 |
1 |
ClO4C9H13 |
AB4C9D13 |
-182.72 |
4.4 |
-10.7 |
-0.54 |
0 |
|
|
53286 |
14710100 |
1 |
ClO4C16H19 |
AB4C16D19 |
-155.36 |
2.58 |
-9.63 |
-0.22 |
0 |
|
|
53287 |
14710101 |
1 |
ClO4C16H19 |
AB4C16D19 |
-155.43 |
3.69 |
-9.85 |
-0.36 |
0 |
|
|
53288 |
14710116 |
1 |
Cl2N2O2C15H16 |
A2B2C2D15E16 |
-66.84 |
6.2 |
-10.05 |
-1.07 |
0 |
|
|
53289 |
14710125 |
1 |
ClN2O3H15C18 |
AB2C3D15E18 |
-50.82 |
6.25 |
-9.48 |
-0.8 |
0 |
|
|
53290 |
14710128 |
1 |
BrN2O3C21H21 |
AB2C3D21E21 |
-55.75 |
3.49 |
-9.33 |
-0.82 |
0 |
|
|
53291 |
14710131 |
1 |
N6H16C17 |
A6B16C17 |
174.2 |
7.12 |
-9.33 |
-1.11 |
0 |
|
|
53292 |
14710135 |
1 |
ClN6H13C16 |
AB6C13D16 |
174.89 |
6.64 |
-9.47 |
-1.2 |
0 |
|
|
53293 |
14710137 |
1 |
OSSnC10H16 |
ABCD10E16 |
-32.67 |
3.62 |
-8.51 |
0.05 |
0 |
|
|
53294 |
14710140 |
1 |
OSC15H16 |
ABC15D16 |
-2.06 |
2.63 |
-8.61 |
-0.09 |
0 |
|
|
53295 |
14710162 |
1 |
NO2C24H25 |
AB2C24D25 |
-31.64 |
0.91 |
-8.76 |
-0.33 |
0 |
|
|
53296 |
14710167 |
1 |
NaPO7H15C17F17 |
ABC7D15E17F17 |
-1313.13 |
8.94 |
-10.15 |
-0.82 |
0 |
|
|
53297 |
14710174 |
1 |
O6C9H16 |
A6B9C16 |
-261.88 |
1.53 |
-10.3 |
1.39 |
0 |
|
|
53298 |
14710184 |
1 |
OSN4H10C14 |
ABC4D10E14 |
72.04 |
5.59 |
-9.51 |
-1.93 |
0 |
|
|
53299 |
14710230 |
1 |
SO2C9H14 |
AB2C9D14 |
-78.96 |
3.65 |
-9.16 |
-0.54 |
0 |
|
|
53300 |
14710237 |
1 |
SO2H12C13 |
AB2C12D13 |
-31.5 |
4.19 |
-8.61 |
-0.76 |
0 |
|
|
53301 |
14710261 |
1 |
Cl6N6C33H64 |
A6B6C33D64 |
-155.68 |
40.43 |
-7.68 |
-2.06 |
0 |
|
|
53302 |
14710264 |
1 |
CuISH2C6 |
ABCD2E6 |
152.34 |
3.92 |
-8.77 |
-0.71 |
0 |
|
|
53303 |
14710265 |
2 |
ISH2C6 |
ABC2D6 |
196.77 |
0.01 |
-9.05 |
-1.45 |
0 |
|
|
53304 |
14710272 |
2 |
NSO4C8H8 |
ABC4D8E8 |
-247.29 |
4.46 |
-9.69 |
-0.35 |
0 |
|
|
53305 |
14710274 |
1 |
ClO4H19C20 |
AB4C19D20 |
-141.44 |
4.52 |
-9.52 |
-0.26 |
0 |
|
|
53306 |
14710276 |
2 |
O2C11H12 |
A2B11C12 |
-141.59 |
4.06 |
-9.24 |
-0.13 |
0 |
|
|
53307 |
14710278 |
1 |
ClO4H19C20 |
AB4C19D20 |
-139.66 |
2.72 |
-9.51 |
-0.48 |
0 |
|
|
53308 |
14710280 |
1 |
O4C13H20 |
A4B13C20 |
-181.5 |
5.7 |
-10.61 |
0.42 |
0 |
|
|
53309 |
14710282 |
1 |
ClO4C16H17 |
AB4C16D17 |
-150.22 |
4.8 |
-9.52 |
-0.26 |
0 |
|
|
53310 |
14710284 |
2 |
O2C7H12 |
A2B7C12 |
-216.56 |
2.99 |
-10.74 |
0.38 |
0 |
|
|
53311 |
14710285 |
4 |
OC4H7 |
AB4C7 |
-208.85 |
3.1 |
-10.01 |
0.48 |
0 |
|
|
53312 |
14710293 |
1 |
NC13H15 |
AB13C15 |
48.3 |
1.49 |
-8.59 |
-0.05 |
0 |
|
|
53313 |
14710305 |
1 |
NO2F3H22C23 |
AB2C3D22E23 |
-163.29 |
5.05 |
-8.71 |
-0.23 |
0 |
|
|
53314 |
14710306 |
1 |
NO2F3H22C23 |
AB2C3D22E23 |
-160.93 |
4.82 |
-8.86 |
-0.28 |
0 |
|
|
53315 |
14710325 |
1 |
O2C21H28 |
A2B21C28 |
-64.43 |
3.73 |
-8.92 |
-0.81 |
0 |
|
|
53316 |
14710326 |
1 |
O3C17H24 |
A3B17C24 |
-109.36 |
4.2 |
-8.79 |
-0.79 |
0 |
|
|
53317 |
14710333 |
1 |
SiO2C24H42 |
AB2C24D42 |
-174.13 |
2.23 |
-9.1 |
0.32 |
0 |
|
|
53318 |
14710334 |
1 |
NSO4C17H19 |
ABC4D17E19 |
-120.21 |
6.5 |
-9.35 |
-0.4 |
0 |
|
|
53319 |
14710356 |
1 |
O3C13H20 |
A3B13C20 |
-159.16 |
4.41 |
-10.19 |
0.41 |
0 |
|
|
53320 |
14710364 |
3 |
OC4H6 |
AB4C6 |
-141.83 |
0.84 |
-9.24 |
0.09 |
0 |
|
|
53321 |
14710377 |
1 |
O3C13H20 |
A3B13C20 |
-157.41 |
4.4 |
-10.05 |
0.43 |
0 |
|
|
53322 |
14710379 |
1 |
OPC12H17 |
ABC12D17 |
-73.37 |
4.87 |
-9.48 |
-0.01 |
0 |
|
|
53323 |
14710385 |
1 |
FNO2C12H16 |
ABC2D12E16 |
-147.72 |
4.36 |
-8.83 |
-0.04 |
0 |
|
|
53324 |
14710400 |
1 |
NO3C18H19 |
AB3C18D19 |
-101.72 |
4.61 |
-8.6 |
0.06 |
0 |
|
|
53325 |
14710418 |
1 |
O2C13H26 |
A2B13C26 |
-147.65 |
1.73 |
-10.66 |
0.92 |
0 |
|
|
53326 |
14710424 |
2 |
NH12C13 |
AB12C13 |
135.96 |
3.58 |
-8.59 |
-0.19 |
0 |
|
|
53327 |
14710425 |
1 |
NOH21C25 |
ABC21D25 |
52.06 |
6.02 |
-8.6 |
-0.3 |
0 |
|
|
53328 |
14710428 |
1 |
NOC25H27 |
ABC25D27 |
1.79 |
5.73 |
-8.59 |
-0.22 |
0 |