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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
5182 |
12723 |
1 |
OC7H10 |
AB7C10 |
5.45 |
2.14 |
-9.83 |
0.23 |
0 |
|
|
5183 |
12724 |
6 |
CH2 |
AB2 |
-9.93 |
0.63 |
-9.96 |
1.36 |
0 |
|
|
5185 |
12727 |
1 |
AsCl2C4H9 |
AB2C4D9 |
-61.53 |
3.51 |
-9.87 |
-0.87 |
0 |
|
|
5186 |
12728 |
1 |
AsC4H11 |
AB4C11 |
1.88 |
0.75 |
-8.83 |
2.24 |
0 |
|
|
5187 |
12729 |
1 |
O2C13H24 |
A2B13C24 |
-120.72 |
1.95 |
-9.98 |
0.87 |
0 |
|
|
5188 |
12730 |
1 |
AsCl2C5H11 |
AB2C5D11 |
-66.49 |
3.51 |
-9.87 |
-0.87 |
0 |
|
|
5189 |
12731 |
1 |
AsC5H13 |
AB5C13 |
-8.81 |
0.86 |
-9.15 |
2.41 |
0 |
|
|
5190 |
12732 |
2 |
C3H5 |
A3B5 |
30.93 |
1.18 |
-10.61 |
1.82 |
0 |
|
|
5191 |
12733 |
1 |
ClSC4H9 |
ABC4D9 |
-26.06 |
2.31 |
-8.88 |
0.13 |
0 |
|
|
5192 |
12734 |
1 |
N2C7H14 |
A2B7C14 |
10.04 |
2.49 |
-9.42 |
0.99 |
0 |
|
|
5193 |
12737 |
1 |
ClOSC4H9 |
ABCD4E9 |
-66.26 |
1.35 |
-9.18 |
-0.15 |
0 |
|
|
5194 |
12739 |
1 |
F2C7H14 |
A2B7C14 |
-131.61 |
1.93 |
-11.31 |
3.21 |
0 |
|
|
5195 |
12740 |
1 |
FOC7H13 |
ABC7D13 |
-107.58 |
2.74 |
-10.12 |
0.39 |
0 |
|
|
5196 |
12741 |
1 |
OC10H20 |
AB10C20 |
-87.48 |
3.39 |
-10.11 |
0.76 |
0 |
|
|
5197 |
12742 |
1 |
BrC9H19 |
AB9C19 |
-44.13 |
1.97 |
-10.27 |
0.04 |
0 |
|
|
5198 |
12746 |
2 |
C3H5 |
A3B5 |
-5.53 |
0.63 |
-9.04 |
1.6 |
0 |
|
|
5199 |
12748 |
1 |
NSC4H5 |
ABC4D5 |
29.6 |
1.21 |
-9.3 |
-0.45 |
0 |
|
|
5200 |
12751 |
1 |
ClOC5H7 |
ABC5D7 |
-59.16 |
3.97 |
-10.18 |
-0.12 |
0 |
|
|
5201 |
12752 |
1 |
SiC6H8 |
AB6C8 |
22.01 |
0.49 |
-9.63 |
-0.02 |
0 |
|
|
5202 |
12754 |
1 |
BrClH4C6 |
ABC4D6 |
20.11 |
2.48 |
-9.66 |
-0.49 |
0 |
|
|
5203 |
12756 |
2 |
OC3H5 |
AB3C5 |
-104.28 |
5.08 |
-10.83 |
0.86 |
0 |
|
|
5204 |
12757 |
2 |
C4H7 |
A4B7 |
-10.26 |
0.59 |
-9.96 |
1.35 |
0 |
|
|
5205 |
12758 |
1 |
H2Cl4C5 |
A2B4C5 |
3.19 |
1.78 |
-9.33 |
-0.89 |
0 |
|
|
5206 |
12759 |
1 |
NC8H11 |
AB8C11 |
6.23 |
2.48 |
-9.09 |
0.23 |
0 |
|
|
5207 |
12760 |
1 |
O2N3C4H5 |
A2B3C4D5 |
20.3 |
5.18 |
-10.36 |
-1.32 |
0 |
|
|
5208 |
12762 |
1 |
AsCl2H5C6 |
AB2C5D6 |
-15.64 |
3.43 |
-9.85 |
-1.09 |
0 |
|
|
5209 |
12763 |
9 |
CH2 |
AB2 |
-40.11 |
0.08 |
-10.36 |
4.15 |
0 |
|
|
5210 |
12764 |
1 |
ON2C6H6 |
AB2C6D6 |
36.66 |
2.1 |
-10.01 |
-0.81 |
0 |
|
|
5211 |
12765 |
1 |
OSC7H8 |
ABC7D8 |
-16.96 |
2.92 |
-8.93 |
-0.03 |
0 |
|
|
5212 |
12768 |
1 |
BrC9H15 |
AB9C15 |
-37.75 |
3.25 |
-10.28 |
0.17 |
0 |
|
|
5213 |
12769 |
1 |
OC9H12 |
AB9C12 |
-48.66 |
1.95 |
-8.74 |
0.53 |
0 |
|
|
5214 |
12771 |
2 |
ClHOC3 |
ABCD3 |
-41.89 |
0.24 |
-10.9 |
-2.48 |
0 |
|
|
5215 |
12772 |
1 |
ClNC8H10 |
ABC8D10 |
16.51 |
2.69 |
-8.64 |
0.04 |
0 |
|
|
5216 |
12776 |
1 |
Cl2N3C5H5 |
A2B3C5D5 |
36.67 |
2.03 |
-11.12 |
-1.39 |
0 |
|
|
5217 |
12778 |
2 |
NOC3H3 |
ABC3D3 |
49.13 |
6.14 |
-8.69 |
-1.5 |
0 |
|
|
5218 |
12780 |
2 |
OC4H5 |
AB4C5 |
-64.19 |
3.0 |
-9.29 |
0.51 |
0 |
|
|
5219 |
12781 |
1 |
NO3H5C6 |
AB3C5D6 |
-0.12 |
5.85 |
-9.89 |
-1.74 |
0 |
|
|
5220 |
12782 |
2 |
NC4H8 |
AB4C8 |
-6.98 |
2.75 |
-9.11 |
1.16 |
0 |
|
|
5221 |
12783 |
1 |
O2C9H14 |
A2B9C14 |
-114.17 |
5.11 |
-10.71 |
0.96 |
0 |
|
|
5222 |
12786 |
1 |
NH3F4C6 |
AB3C4D6 |
-157.33 |
2.38 |
-9.32 |
-0.69 |
0 |
|
|
5223 |
12788 |
1 |
NO3C7H7 |
AB3C7D7 |
-34.99 |
7.62 |
-9.91 |
-1.09 |
0 |
|
|
5224 |
12789 |
1 |
OH4N4C6 |
AB4C4D6 |
52.11 |
8.74 |
-9.76 |
-1.97 |
0 |
|
|
5225 |
12791 |
1 |
ON2C8H10 |
AB2C8D10 |
-20.19 |
3.9 |
-9.57 |
-0.11 |
0 |
|
|
5226 |
12793 |
1 |
PO4C6H7 |
AB4C6D7 |
-212.08 |
3.07 |
-9.72 |
-0.16 |
0 |
|
|
5227 |
12796 |
1 |
N2O2C7H8 |
A2B2C7D8 |
-67.72 |
4.85 |
-8.89 |
-0.04 |
0 |
|
|
5228 |
12797 |
1 |
NOC9H11 |
ABC9D11 |
8.64 |
1.85 |
-8.88 |
0.17 |
0 |
|
|
5229 |
12798 |
1 |
NO3C8H13 |
AB3C8D13 |
-150.56 |
4.34 |
-11.01 |
-0.17 |
0 |
|
|
5230 |
12800 |
4 |
C3H5 |
A3B5 |
-49.35 |
0.16 |
-10.03 |
3.96 |
0 |
|
|
5231 |
12801 |
3 |
OH2C3 |
AB2C3 |
-94.19 |
7.1 |
-10.48 |
-1.25 |
0 |
|
|
5232 |
12804 |
1 |
ON4H6C7 |
AB4C6D7 |
52.44 |
4.76 |
-9.57 |
-1.2 |
0 |
|
|
5233 |
12805 |
1 |
FN3C8H10 |
AB3C8D10 |
-9.34 |
2.33 |
-9.43 |
-0.16 |
0 |
|
|
5234 |
12806 |
1 |
F3C4H4N5 |
A3B4C4D5 |
-107.01 |
5.17 |
-10.17 |
-0.92 |
0 |
|
|
5235 |
12807 |
1 |
NO2C9H9 |
AB2C9D9 |
22.96 |
5.08 |
-10.02 |
-1.12 |
0 |
|
|
5236 |
12808 |
1 |
ClNS2C8H8 |
ABC2D8E8 |
38.23 |
2.72 |
-9.04 |
-0.66 |
0 |
|
|
5237 |
12809 |
1 |
O2N3C7H11 |
A2B3C7D11 |
-41.96 |
1.83 |
-10.42 |
-0.45 |
0 |
|
|
5238 |
12810 |
2 |
OC5H9 |
AB5C9 |
-123.51 |
5.22 |
-10.47 |
0.93 |
0 |
|
|
5239 |
12811 |
1 |
SN2O2C7H8 |
AB2C2D7E8 |
-53.35 |
4.48 |
-9.55 |
-0.99 |
0 |
|
|
5240 |
12813 |
2 |
OC5H9 |
AB5C9 |
-124.25 |
5.03 |
-10.84 |
0.86 |
0 |
|
|
5241 |
12815 |
1 |
Cl2C5F6 |
A2B5C6 |
-294.01 |
1.85 |
-10.54 |
-1.49 |
0 |
|
|
5242 |
12816 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-102.63 |
2.95 |
-10.16 |
0.14 |
0 |
|
|
5243 |
12817 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-107.86 |
4.05 |
-10.39 |
-0.02 |
0 |
|
|
5244 |
12819 |
1 |
O2H8C11 |
A2B8C11 |
-32.59 |
4.97 |
-9.03 |
-1.09 |
0 |
|
|
5245 |
12821 |
1 |
FSO3H7C8 |
ABC3D7E8 |
-144.69 |
7.88 |
-10.78 |
-1.42 |
0 |
|
|
5246 |
12824 |
1 |
ClNS2C9H10 |
ABC2D9E10 |
33.76 |
4.42 |
-8.91 |
-0.69 |
0 |
|
|
5247 |
12825 |
1 |
NO2C10H13 |
AB2C10D13 |
-81.52 |
2.41 |
-9.43 |
0.33 |
0 |
|
|
5248 |
12826 |
1 |
NO3C9H11 |
AB3C9D11 |
-112.45 |
2.07 |
-9.15 |
-0.14 |
0 |
|
|
5249 |
12829 |
2 |
SC2F4 |
AB2C4 |
-401.9 |
0.0 |
-10.63 |
-1.86 |
0 |
|
|
5250 |
12833 |
1 |
ClN2C11H13 |
AB2C11D13 |
15.59 |
3.55 |
-8.57 |
-0.34 |
0 |
|
|
5251 |
12834 |
1 |
FN2C11H13 |
AB2C11D13 |
-21.64 |
2.95 |
-8.56 |
-0.32 |
0 |
|
|
5252 |
12837 |
1 |
OC13H16 |
AB13C16 |
-31.12 |
2.87 |
-9.7 |
-0.4 |
0 |
|
|
5253 |
12839 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-91.78 |
2.23 |
-9.47 |
-0.1 |
0 |
|
|
5254 |
12840 |
1 |
NH5O5C8 |
AB5C5D8 |
-67.07 |
5.3 |
-9.85 |
-2.06 |
0 |
|
|
5255 |
12841 |
2 |
OC6H9 |
AB6C9 |
-86.86 |
2.19 |
-8.71 |
0.27 |
0 |
|
|
5256 |
12842 |
2 |
OH5C6 |
AB5C6 |
-30.76 |
2.45 |
-9.03 |
-0.14 |
0 |
|
|
5257 |
12843 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-92.3 |
3.49 |
-9.45 |
-0.19 |
0 |
|
|
5258 |
12846 |
1 |
ClNS2C10H10 |
ABC2D10E10 |
53.38 |
2.69 |
-9.06 |
-0.72 |
0 |
|
|
5259 |
12847 |
1 |
N2O3C10H16 |
A2B3C10D16 |
-147.84 |
0.82 |
-10.5 |
-0.46 |
0 |
|
|
5260 |
12854 |
1 |
O2H10C13 |
A2B10C13 |
-35.49 |
5.52 |
-9.67 |
-0.8 |
0 |
|
|
5261 |
12855 |
1 |
N2H10C13 |
A2B10C13 |
74.68 |
3.24 |
-8.78 |
-0.67 |
0 |
|
|
5262 |
12857 |
1 |
FN2O2C10H13 |
AB2C2D10E13 |
-102.25 |
0.73 |
-9.72 |
-0.18 |
0 |
|
|
5263 |
12859 |
1 |
N3C5F7 |
A3B5C7 |
-284.05 |
0.76 |
-12.28 |
-2.75 |
0 |
|
|
5264 |
12860 |
3 |
C5H8 |
A5B8 |
-33.4 |
0.02 |
-9.02 |
0.72 |
0 |
|
|
5265 |
12861 |
1 |
F2N4H6C9 |
A2B4C6D9 |
-1.64 |
4.73 |
-9.44 |
-1.34 |
0 |
|
|
5266 |
12862 |
1 |
SF2N3H5C9 |
AB2C3D5E9 |
7.14 |
3.45 |
-9.63 |
-1.77 |
0 |
|
|
5267 |
12865 |
2 |
NOC6H9 |
ABC6D9 |
-85.97 |
3.18 |
-10.12 |
0.14 |
0 |
|
|
5268 |
12871 |
1 |
F3N5C8H12 |
A3B5C8D12 |
-123.39 |
6.11 |
-9.63 |
-0.65 |
0 |
|
|
5269 |
12872 |
4 |
NOC2H2 |
ABC2D2 |
-4.18 |
4.25 |
-9.45 |
-1.74 |
0 |
|
|
5272 |
12878 |
1 |
N4O4C9H14 |
A4B4C9D14 |
-19.38 |
2.36 |
-8.68 |
-1.31 |
0 |
|
|
5273 |
12879 |
1 |
ON3C9H13 |
AB3C9D13 |
19.15 |
1.04 |
-8.7 |
0.24 |
0 |
|
|
5274 |
12881 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-110.76 |
5.74 |
-9.99 |
-0.02 |
0 |
|
|
5275 |
12882 |
1 |
N2O4C11H20 |
A2B4C11D20 |
-209.11 |
3.66 |
-10.35 |
0.01 |
0 |
|
|
5276 |
12884 |
1 |
NO2H9C14 |
AB2C9D14 |
-1.82 |
5.28 |
-9.09 |
-1.45 |
0 |
|
|
5277 |
12886 |
1 |
FNOH12C14 |
ABCD12E14 |
-50.13 |
2.14 |
-8.84 |
-0.38 |
0 |
|
|
5278 |
12887 |
1 |
FNOH12C14 |
ABCD12E14 |
-53.52 |
5.16 |
-8.84 |
-0.34 |
0 |
|
|
5279 |
12889 |
1 |
O2H4F6C9 |
A2B4C6D9 |
-379.09 |
2.43 |
-11.56 |
-1.84 |
0 |
|
|
5280 |
12890 |
1 |
BrO2H11C15 |
AB2C11D15 |
-13.27 |
0.71 |
-9.94 |
-1.18 |
0 |
|
|
5281 |
12893 |
2 |
O2H6C7 |
A2B6C7 |
-102.44 |
5.26 |
-9.47 |
-0.41 |
0 |
|
|
5282 |
12895 |
1 |
ClNS2H12C14 |
ABC2D12E14 |
62.95 |
2.99 |
-9.02 |
-0.92 |
0 |
|
|
5283 |
12897 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-107.14 |
0.86 |
-9.91 |
-0.45 |
0 |
|
|
5284 |
12902 |
1 |
OC18H30 |
AB18C30 |
-90.26 |
1.64 |
-8.39 |
0.54 |
0 |