List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13174 |
222413 |
1 |
ClO2C18H27 |
AB2C18D27 |
-125.1 |
2.35 |
-9.93 |
-0.87 |
0 |
|
|
13175 |
222434 |
1 |
NOC15H21 |
ABC15D21 |
-35.02 |
4.01 |
-9.19 |
0.36 |
0 |
|
|
13176 |
222460 |
1 |
ClO3H13C15 |
AB3C13D15 |
-80.91 |
2.59 |
-8.88 |
-0.95 |
0 |
|
|
13177 |
222464 |
1 |
NO2C12H15 |
AB2C12D15 |
-85.81 |
2.15 |
-8.68 |
0.02 |
0 |
|
|
13178 |
222481 |
1 |
SO2C8H16 |
AB2C8D16 |
-122.21 |
3.87 |
-8.83 |
0.45 |
0 |
|
|
13179 |
222484 |
1 |
SO2C7H14 |
AB2C7D14 |
-111.31 |
0.61 |
-8.72 |
0.5 |
0 |
|
|
13180 |
222551 |
1 |
Cl2O2C7H14 |
A2B2C7D14 |
-130.32 |
2.81 |
-10.64 |
0.64 |
0 |
|
|
13181 |
222573 |
5 |
OC5H6 |
AB5C6 |
-191.94 |
5.29 |
-10.27 |
-1.17 |
0 |
|
|
13182 |
222626 |
1 |
PSN5O6C14H22 |
ABC5D6E14F22 |
-277.61 |
5.8 |
-9.36 |
-0.83 |
0 |
|
|
13183 |
222629 |
1 |
IN2O2H5C6 |
AB2C2D5E6 |
29.88 |
7.9 |
-9.39 |
-1.41 |
0 |
|
|
13184 |
222658 |
2 |
N2C5H6 |
A2B5C6 |
112.66 |
0.26 |
-9.88 |
-0.7 |
0 |
|
|
13185 |
222673 |
1 |
SN3C6H9 |
AB3C6D9 |
24.66 |
1.18 |
-9.25 |
-0.48 |
0 |
|
|
13186 |
222679 |
1 |
NO4C13H25 |
AB4C13D25 |
-213.14 |
3.49 |
-9.8 |
0.52 |
0 |
|
|
13187 |
222745 |
1 |
NO8C23H29 |
AB8C23D29 |
-319.36 |
2.02 |
-8.55 |
-0.16 |
0 |
|
|
13188 |
222746 |
1 |
NOC17H21 |
ABC17D21 |
1.26 |
1.93 |
-8.55 |
0.32 |
0 |
|
|
13189 |
222793 |
1 |
O3C19H26 |
A3B19C26 |
-151.46 |
5.75 |
-9.71 |
0.02 |
0 |
|
|
13190 |
222812 |
2 |
OC11H17 |
AB11C17 |
-128.24 |
2.22 |
-9.86 |
0.42 |
0 |
|
|
13191 |
222853 |
2 |
NOC5H7 |
ABC5D7 |
6.67 |
5.99 |
-8.66 |
-0.69 |
0 |
|
|
13192 |
222866 |
1 |
NO3C11H11 |
AB3C11D11 |
-75.32 |
4.41 |
-9.24 |
-0.23 |
0 |
|
|
13193 |
222878 |
1 |
N2O3C4H8 |
A2B3C4D8 |
-123.8 |
5.97 |
-10.84 |
-0.04 |
0 |
|
|
13194 |
222920 |
1 |
SN2O3C28H32 |
AB2C3D28E32 |
-51.1 |
4.39 |
-8.7 |
-0.56 |
0 |
|
|
13195 |
222958 |
1 |
OF3H7C9 |
AB3C7D9 |
-170.03 |
3.41 |
-9.9 |
-0.78 |
0 |
|
|
13196 |
222964 |
1 |
O3H10C11 |
A3B10C11 |
-105.53 |
4.8 |
-10.14 |
-0.96 |
0 |
|
|
13197 |
222992 |
2 |
NO2C5H5 |
AB2C5D5 |
-31.98 |
7.35 |
-9.4 |
-1.5 |
0 |
|
|
13198 |
223006 |
4 |
OC3H3 |
AB3C3 |
-118.14 |
8.14 |
-8.74 |
-1.02 |
0 |
|
|
13199 |
223053 |
3 |
OH6C8 |
AB6C8 |
-47.4 |
4.4 |
-8.99 |
-0.74 |
0 |
|
|
13200 |
223057 |
1 |
O2H12C15 |
A2B12C15 |
-22.68 |
5.41 |
-9.3 |
-1.0 |
0 |
|
|
13201 |
223061 |
1 |
NO11H31C32 |
AB11C31D32 |
-322.99 |
9.97 |
-8.49 |
-0.86 |
0 |
|
|
13202 |
223089 |
1 |
ClNF2H4C6 |
ABC2D4E6 |
-77.95 |
3.75 |
-8.99 |
-0.63 |
0 |
|
|
13203 |
223098 |
1 |
NH4F5C7 |
AB4C5D7 |
-231.19 |
4.42 |
-9.34 |
-1.04 |
0 |
|
|
13204 |
223099 |
1 |
NF2O3H5C7 |
AB2C3D5E7 |
-105.91 |
6.11 |
-9.8 |
-1.77 |
0 |
|
|
13205 |
223117 |
1 |
F2C9H10 |
A2B9C10 |
-96.77 |
1.41 |
-9.29 |
0.0 |
0 |
|
|
13206 |
223124 |
2 |
NOF2H5C7 |
ABC2D5E7 |
-155.14 |
0.87 |
-8.89 |
-0.9 |
0 |
|
|
13207 |
223143 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-18.91 |
6.86 |
-9.07 |
-1.6 |
0 |
|
|
13208 |
223158 |
1 |
O2H10C11 |
A2B10C11 |
-46.11 |
5.51 |
-9.81 |
-0.55 |
0 |
|
|
13209 |
223183 |
1 |
SBr2N2O2H12C16 |
AB2C2D2E12F16 |
-16.3 |
7.86 |
-8.63 |
-0.88 |
0 |
|
|
13210 |
223261 |
1 |
ClN2H7C8 |
AB2C7D8 |
38.15 |
5.54 |
-10.14 |
-1.1 |
0 |
|
|
13211 |
223382 |
1 |
ClNO3C10H10 |
ABC3D10E10 |
-128.88 |
4.26 |
-9.0 |
-0.37 |
0 |
|
|
13212 |
223388 |
2 |
OC6H6 |
AB6C6 |
-65.94 |
5.34 |
-9.33 |
-0.68 |
0 |
|
|
13213 |
223393 |
1 |
O3C12H20 |
A3B12C20 |
-161.89 |
3.77 |
-10.03 |
0.48 |
0 |
|
|
13214 |
223424 |
1 |
NO3C7H15 |
AB3C7D15 |
-154.3 |
4.5 |
-9.66 |
0.57 |
0 |
|
|
13215 |
223428 |
1 |
NO2C9H19 |
AB2C9D19 |
-127.06 |
2.7 |
-9.77 |
1.03 |
0 |
|
|
13216 |
223434 |
1 |
NO2C13H27 |
AB2C13D27 |
-141.74 |
4.85 |
-9.51 |
0.97 |
0 |
|
|
13217 |
223467 |
1 |
N5C12H25 |
A5B12C25 |
31.41 |
7.39 |
-9.93 |
-0.25 |
0 |
|
|
13218 |
223468 |
1 |
BrO2H11C13 |
AB2C11D13 |
-47.51 |
2.53 |
-9.0 |
-0.31 |
0 |
|
|
13219 |
223469 |
1 |
BrO2H11C13 |
AB2C11D13 |
-47.67 |
1.52 |
-9.03 |
-0.31 |
0 |
|
|
13220 |
223494 |
1 |
BrOH13C14 |
ABC13D14 |
-10.29 |
3.34 |
-8.83 |
-0.04 |
0 |
|
|
13221 |
223503 |
1 |
ClOH13C14 |
ABC13D14 |
-22.04 |
1.09 |
-8.82 |
-0.05 |
0 |
|
|
13222 |
223506 |
1 |
ClNOH10C15 |
ABCD10E15 |
39.51 |
5.09 |
-9.67 |
-1.02 |
0 |
|
|
13223 |
223508 |
1 |
ClOH13C15 |
ABC13D15 |
8.73 |
3.4 |
-8.59 |
-0.54 |
0 |