List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
388108 |
134988185 |
1 |
Cl2N2O2C11H18 |
A2B2C2D11E18 |
-105.16 |
4.44 |
-9.08 |
-0.57 |
0 |
|
|
388109 |
134988186 |
1 |
NOH11C15 |
ABC11D15 |
55.88 |
2.74 |
-8.66 |
-1.17 |
0 |
|
|
388110 |
134988187 |
1 |
ClNOSC11H14 |
ABCDE11F14 |
-37.27 |
1.92 |
-8.92 |
-0.17 |
0 |
|
|
388111 |
134988188 |
1 |
NO4C7H13 |
AB4C7D13 |
-178.89 |
2.31 |
-9.62 |
0.2 |
0 |
|
|
388112 |
134988190 |
1 |
NO2C13H17 |
AB2C13D17 |
-74.65 |
5.33 |
-8.93 |
0.34 |
0 |
|
|
388113 |
134988193 |
1 |
NO2C15H29 |
AB2C15D29 |
-144.61 |
2.55 |
-9.88 |
1.17 |
0 |
|
|
388114 |
134988197 |
1 |
IO2C11H21 |
AB2C11D21 |
-121.33 |
6.29 |
-9.7 |
-0.81 |
0 |
|
|
388115 |
134988199 |
1 |
O3C13H14 |
A3B13C14 |
-59.22 |
5.68 |
-9.04 |
-0.22 |
0 |
|
|
388116 |
134988203 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-72.34 |
3.02 |
-9.13 |
0.42 |
0 |
|
|
388117 |
134988205 |
1 |
ClNSC6H6 |
ABCD6E6 |
58.51 |
4.76 |
-8.96 |
-0.73 |
0 |
|
|
388118 |
134988224 |
1 |
ClNOSC10H12 |
ABCDE10F12 |
-41.21 |
4.14 |
-9.27 |
-0.72 |
0 |
|
|
388119 |
134988225 |
1 |
SO2C11H14 |
AB2C11D14 |
-62.92 |
2.22 |
-9.24 |
-0.49 |
0 |
|
|
388120 |
134988227 |
2 |
ON4H15C19 |
AB4C15D19 |
380.52 |
6.98 |
-7.87 |
-2.15 |
0 |
|
|
388121 |
134988233 |
1 |
O2C13H24 |
A2B13C24 |
-133.44 |
4.55 |
-10.46 |
0.78 |
0 |
|
|
388122 |
134988242 |
1 |
O2C13H22 |
A2B13C22 |
-94.89 |
1.46 |
-10.09 |
1.02 |
0 |
|
|
388123 |
134988243 |
2 |
OC7H9 |
AB7C9 |
-74.26 |
1.9 |
-9.48 |
0.27 |
0 |
|
|
388124 |
134988252 |
1 |
NOSCl2C12H13 |
ABCD2E12F13 |
-4.57 |
4.06 |
-9.43 |
-0.54 |
0 |
|
|
388125 |
134988258 |
1 |
NC3H3S3 |
AB3C3D3 |
76.91 |
4.55 |
-9.25 |
-1.76 |
0 |
|
|
388126 |
134988262 |
1 |
NO5C9H13 |
AB5C9D13 |
-209.42 |
5.22 |
-10.69 |
-0.25 |
0 |
|
|
388127 |
134988272 |
1 |
CuLiNO2C10H15 |
ABCD2E10F15 |
0.96 |
9.22 |
-7.55 |
0.8 |
0 |
|
|
388128 |
134988276 |
1 |
NOC17H25 |
ABC17D25 |
-32.31 |
4.13 |
-9.21 |
0.32 |
0 |
|
|
388129 |
134988277 |
1 |
BrNOC12H20 |
ABCD12E20 |
-73.75 |
3.87 |
-9.23 |
-0.17 |
0 |
|
|
388130 |
134988279 |
1 |
INOC13H16 |
ABCD13E16 |
-16.87 |
3.89 |
-9.41 |
-1.33 |
0 |
|
|
388131 |
134988286 |
1 |
IO2C9H17 |
AB2C9D17 |
-109.42 |
4.3 |
-10.06 |
-1.12 |
0 |
|
|
388132 |
134988287 |
1 |
O3C13H18 |
A3B13C18 |
-122.25 |
1.93 |
-9.31 |
0.24 |
0 |
|
|
388133 |
134988288 |
1 |
BrO3C5H9 |
AB3C5D9 |
-145.19 |
6.33 |
-10.97 |
-1.0 |
0 |
|
|
388134 |
134988292 |
1 |
NOS3C8H13 |
ABC3D8E13 |
-6.78 |
1.99 |
-8.62 |
-1.5 |
0 |
|
|
388135 |
134988293 |
1 |
IO3C10H17 |
AB3C10D17 |
-154.48 |
6.52 |
-10.06 |
-1.57 |
0 |
|
|
388136 |
134988294 |
1 |
NO2S2C11H13 |
AB2C2D11E13 |
-39.62 |
3.87 |
-8.56 |
-0.93 |
0 |
|
|
388137 |
134988300 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-89.87 |
4.27 |
-10.08 |
-1.29 |
0 |
|
|
388138 |
134988303 |
1 |
O3C14H20 |
A3B14C20 |
-131.72 |
0.42 |
-8.81 |
0.18 |
0 |
|
|
388139 |
134988304 |
2 |
OC7H12 |
AB7C12 |
-108.0 |
1.96 |
-9.68 |
0.86 |
0 |
|
|
388140 |
134988305 |
1 |
O2C11H20 |
A2B11C20 |
-113.43 |
1.79 |
-9.65 |
0.89 |
0 |
|
|
388141 |
134988307 |
1 |
SO3C13H18 |
AB3C13D18 |
-128.19 |
5.04 |
-8.68 |
0.06 |
0 |
|
|
388142 |
134988314 |
1 |
NSI2H5C9 |
ABC2D5E9 |
110.84 |
2.36 |
-9.5 |
-1.83 |
0 |
|
|
388143 |
134988322 |
1 |
O5C10H16 |
A5B10C16 |
-189.12 |
7.19 |
-9.27 |
-0.32 |
0 |
|
|
388144 |
134988323 |
1 |
FSSeC4H7 |
ABCD4E7 |
-28.19 |
3.71 |
-9.01 |
-1.18 |
0 |
|
|
388145 |
134988324 |
2 |
O2C5H10 |
A2B5C10 |
-201.84 |
5.45 |
-9.98 |
0.75 |
0 |
|
|
388146 |
134988325 |
1 |
BrO3C7H13 |
AB3C7D13 |
-160.63 |
5.86 |
-10.89 |
-0.92 |
0 |
|
|
388147 |
134988326 |
4 |
OC3H3 |
AB3C3 |
-158.04 |
6.3 |
-9.7 |
-0.2 |
0 |
|
|
388148 |
134988327 |
1 |
NSO4C11H11 |
ABC4D11E11 |
-108.11 |
2.3 |
-9.07 |
-0.94 |
0 |
|
|
388149 |
134988328 |
1 |
NO3C10H15 |
AB3C10D15 |
-108.51 |
3.83 |
-10.49 |
-0.16 |
0 |
|
|
388150 |
134988329 |
1 |
NO2C13H23 |
AB2C13D23 |
-107.43 |
4.15 |
-10.81 |
0.68 |
0 |
|
|
388151 |
134988330 |
2 |
O2C5H8 |
A2B5C8 |
-180.85 |
1.2 |
-10.25 |
0.47 |
0 |
|
|
388152 |
134988331 |
1 |
BrO2C15H19 |
AB2C15D19 |
-80.55 |
1.57 |
-9.44 |
-0.1 |
0 |
|
|
388153 |
134988332 |
1 |
FO2C12H21 |
AB2C12D21 |
-163.43 |
1.18 |
-10.5 |
0.51 |
0 |
|
|
388154 |
134988333 |
1 |
NO2C14H21 |
AB2C14D21 |
-90.06 |
2.0 |
-9.41 |
0.31 |
0 |
|
|
388155 |
134988343 |
1 |
FNPCl3O4C8H12 |
ABCD3E4F8G12 |
-286.81 |
3.39 |
-9.93 |
-1.0 |
0 |
|
|
388156 |
134988348 |
1 |
IO2C11H21 |
AB2C11D21 |
-118.46 |
6.13 |
-9.65 |
-0.7 |
0 |
|
|
388157 |
134988352 |
1 |
NOSiC13H25 |
ABCD13E25 |
-88.75 |
3.85 |
-8.81 |
1.27 |
0 |