List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
220813 |
85240081 |
1 |
ClN2O2H9C14 |
AB2C2D9E14 |
-13.78 |
3.8 |
-9.41 |
-1.88 |
0 |
|
|
220814 |
85240098 |
1 |
NO2C17H23 |
AB2C17D23 |
-78.88 |
4.02 |
-8.57 |
-0.13 |
0 |
|
|
220815 |
85240099 |
1 |
ON3C16H23 |
AB3C16D23 |
-31.58 |
8.4 |
-8.87 |
-0.09 |
0 |
|
|
220816 |
85240100 |
1 |
NSiO3C13H27 |
ABC3D13E27 |
-185.99 |
2.86 |
-8.96 |
1.11 |
0 |
|
|
220818 |
85240102 |
1 |
ClNO2H12C15 |
ABC2D12E15 |
-30.55 |
2.36 |
-9.32 |
-0.48 |
0 |
|
|
220819 |
85240113 |
1 |
O5C14H26 |
A5B14C26 |
-270.3 |
3.78 |
-9.89 |
0.66 |
0 |
|
|
220820 |
85240122 |
1 |
NO4C6H11 |
AB4C6D11 |
-160.85 |
1.2 |
-9.72 |
0.72 |
0 |
|
|
220821 |
85240124 |
1 |
NO4C15H17 |
AB4C15D17 |
-128.5 |
2.47 |
-8.43 |
-0.08 |
0 |
|
|
220822 |
85240125 |
1 |
NO4C15H17 |
AB4C15D17 |
-131.33 |
6.17 |
-9.8 |
-0.1 |
0 |
|
|
220823 |
85240126 |
1 |
N5H13C16 |
A5B13C16 |
144.03 |
1.0 |
-8.93 |
-0.77 |
0 |
|
|
220824 |
85240127 |
1 |
OSN5C12H13 |
ABC5D12E13 |
49.88 |
3.74 |
-8.75 |
-0.88 |
0 |
|
|
220825 |
85240131 |
1 |
NO2C17H25 |
AB2C17D25 |
-69.98 |
2.6 |
-8.1 |
0.59 |
0 |
|
|
220827 |
85240139 |
4 |
OC4H5 |
AB4C5 |
-132.54 |
5.76 |
-9.11 |
-0.61 |
0 |
|
|
220828 |
85240141 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-11.37 |
6.92 |
-9.56 |
-1.59 |
0 |
|
|
220829 |
85240144 |
1 |
O3C17H24 |
A3B17C24 |
-113.07 |
2.29 |
-9.46 |
0.26 |
0 |
|
|
220830 |
85240145 |
1 |
SiO3C15H20 |
AB3C15D20 |
-124.86 |
2.29 |
-9.64 |
-0.3 |
0 |
|
|
220831 |
85240146 |
2 |
OC9H14 |
AB9C14 |
-68.32 |
1.41 |
-8.36 |
-0.4 |
0 |
|
|
220832 |
85240148 |
2 |
NC9H16 |
AB9C16 |
-22.48 |
1.35 |
-8.49 |
1.01 |
0 |
|
|
220833 |
85240149 |
1 |
ClN2O4C11H17 |
AB2C4D11E17 |
-175.94 |
4.3 |
-9.78 |
-0.03 |
0 |
|
|
220834 |
85240150 |
1 |
OSnC10H22 |
ABC10D22 |
-72.64 |
2.29 |
-8.99 |
0.99 |
0 |
|
|
220835 |
85240154 |
1 |
O2N3H11C16 |
A2B3C11D16 |
61.02 |
1.17 |
-8.3 |
-1.24 |
0 |
|
|
220836 |
85240155 |
1 |
O2N3H11C16 |
A2B3C11D16 |
50.5 |
7.43 |
-9.15 |
-1.11 |
0 |
|
|
220837 |
85240158 |
1 |
NO4C15H19 |
AB4C15D19 |
-153.68 |
3.24 |
-9.14 |
-1.16 |
0 |
|
|
220838 |
85240159 |
1 |
NO4C15H19 |
AB4C15D19 |
-157.55 |
4.18 |
-9.86 |
-0.42 |
0 |
|
|
220839 |
85240160 |
1 |
NSO3C14H15 |
ABC3D14E15 |
-62.05 |
6.45 |
-8.18 |
-0.18 |
0 |
|
|
220840 |
85240161 |
1 |
NSO3C14H15 |
ABC3D14E15 |
-80.26 |
3.16 |
-9.52 |
-0.79 |
0 |
|
|
220841 |
85240162 |
1 |
NO3C16H23 |
AB3C16D23 |
-128.28 |
4.92 |
-9.49 |
0.23 |
0 |
|
|
220842 |
85240163 |
1 |
NO3C16H23 |
AB3C16D23 |
-118.53 |
3.78 |
-9.71 |
-0.13 |
0 |
|
|
220844 |
85240165 |
1 |
ON5C14H23 |
AB5C14D23 |
14.66 |
5.5 |
-8.95 |
-0.46 |
0 |
|
|
220845 |
85240166 |
1 |
NO2C17H27 |
AB2C17D27 |
-71.52 |
4.3 |
-9.05 |
1.03 |
0 |
|
|
220846 |
85240169 |
1 |
F3O3C13H17 |
A3B3C13D17 |
-312.02 |
2.95 |
-10.21 |
0.27 |
0 |
|
|
220847 |
85240171 |
1 |
O2N4H8C15 |
A2B4C8D15 |
86.47 |
2.67 |
-9.72 |
-3.0 |
0 |
|
|
220848 |
85240172 |
1 |
O7C12H22 |
A7B12C22 |
-310.08 |
1.47 |
-9.74 |
1.12 |
0 |
|
|
220849 |
85240174 |
1 |
SO3C15H18 |
AB3C15D18 |
-75.72 |
5.62 |
-8.55 |
-0.21 |
0 |
|
|
220850 |
85240177 |
1 |
O3C17H26 |
A3B17C26 |
-160.88 |
5.87 |
-9.68 |
0.87 |
0 |
|
|
220851 |
85240178 |
1 |
O3C17H26 |
A3B17C26 |
-151.14 |
3.17 |
-8.64 |
0.4 |
0 |
|
|
220852 |
85240180 |
1 |
O3C17H26 |
A3B17C26 |
-130.07 |
1.89 |
-9.02 |
0.57 |
0 |
|
|
220853 |
85240181 |
1 |
OC20H22 |
AB20C22 |
15.78 |
2.84 |
-9.11 |
0.26 |
0 |
|
|
220854 |
85240188 |
1 |
NO4C15H21 |
AB4C15D21 |
-171.28 |
2.26 |
-9.52 |
0.21 |
0 |
|
|
220855 |
85240190 |
1 |
ON3C17H17 |
AB3C17D17 |
71.62 |
3.66 |
-8.82 |
-0.08 |
0 |
|
|
220856 |
85240192 |
1 |
SO2N3C13H17 |
AB2C3D13E17 |
-45.54 |
2.3 |
-8.65 |
-0.09 |
0 |
|
|
220857 |
85240193 |
1 |
SO2N3C13H17 |
AB2C3D13E17 |
-19.38 |
2.37 |
-8.76 |
-0.42 |
0 |
|
|
220858 |
85240194 |
1 |
NOC19H21 |
ABC19D21 |
6.79 |
4.14 |
-9.18 |
-0.16 |
0 |
|
|
220860 |
85240197 |
1 |
NSiO3C14H21 |
ABC3D14E21 |
-88.22 |
4.26 |
-9.3 |
-0.26 |
0 |
|
|
220861 |
85240198 |
1 |
NO2C17H29 |
AB2C17D29 |
-98.1 |
4.88 |
-10.22 |
0.72 |
0 |
|
|
220862 |
85240212 |
2 |
NO2C7H10 |
AB2C7D10 |
-127.94 |
1.2 |
-9.42 |
0.07 |
0 |
|
|
220863 |
85240214 |
1 |
ON4C16H16 |
AB4C16D16 |
98.4 |
1.23 |
-8.75 |
-0.46 |
0 |
|
|
220864 |
85240221 |
1 |
O3C17H28 |
A3B17C28 |
-152.83 |
2.79 |
-8.98 |
1.42 |
0 |
|
|
220865 |
85240222 |
1 |
O3C17H28 |
A3B17C28 |
-135.34 |
2.41 |
-9.18 |
0.77 |
0 |
|
|
220867 |
85240224 |
1 |
SSiO2C14H20 |
ABC2D14E20 |
-32.06 |
3.06 |
-9.19 |
-0.58 |
0 |