List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
216172 |
85085829 |
1 |
BrO4C7H9 |
AB4C7D9 |
-177.45 |
3.87 |
-10.87 |
-0.99 |
0 |
|
|
216174 |
85085831 |
1 |
NH6C8 |
AB6C8 |
94.65 |
3.87 |
0.0 |
0.0 |
0 |
|
|
216175 |
85085832 |
1 |
NOH15C16 |
ABC15D16 |
6.85 |
4.47 |
-9.06 |
-0.42 |
0 |
|
|
216176 |
85085833 |
1 |
NO2C14H23 |
AB2C14D23 |
-103.64 |
5.34 |
-9.6 |
0.81 |
0 |
|
|
216177 |
85085835 |
1 |
Cl2N3H7C10 |
A2B3C7D10 |
65.09 |
8.54 |
-7.9 |
-0.99 |
0 |
|
|
216178 |
85085837 |
1 |
SN2O3C10H10 |
AB2C3D10E10 |
-55.4 |
6.27 |
-9.65 |
-1.97 |
0 |
|
|
216179 |
85085844 |
1 |
ON2C14H26 |
AB2C14D26 |
-77.0 |
4.72 |
-8.8 |
1.19 |
0 |
|
|
216180 |
85085845 |
1 |
ClO2C13H15 |
AB2C13D15 |
-84.65 |
3.88 |
-9.62 |
-0.29 |
0 |
|
|
216181 |
85085847 |
1 |
NSO6C7H13 |
ABC6D7E13 |
-263.26 |
3.16 |
-9.15 |
-0.43 |
0 |
|
|
216182 |
85085848 |
1 |
O2N5C10H17 |
A2B5C10D17 |
-3.08 |
7.97 |
-9.74 |
-1.17 |
0 |
|
|
216183 |
85085851 |
1 |
NOC16H17 |
ABC16D17 |
18.05 |
1.85 |
-9.15 |
-0.36 |
0 |
|
|
216184 |
85085852 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-122.68 |
3.61 |
-9.94 |
0.14 |
0 |
|
|
216185 |
85085853 |
1 |
NO2C14H25 |
AB2C14D25 |
-119.09 |
5.77 |
-10.15 |
0.74 |
0 |
|
|
216186 |
85085854 |
1 |
NC17H21 |
AB17C21 |
21.56 |
0.56 |
-8.64 |
0.47 |
0 |
|
|
216187 |
85085855 |
1 |
NSiO2C12H21 |
ABC2D12E21 |
-127.99 |
4.51 |
-9.28 |
-0.5 |
0 |
|
|
216188 |
85085857 |
1 |
ClON3C11H14 |
ABC3D11E14 |
-47.45 |
3.23 |
-8.86 |
-0.42 |
0 |
|
|
216189 |
85085858 |
2 |
O2C7H9 |
A2B7C9 |
-149.54 |
3.93 |
-9.71 |
-0.91 |
0 |
|
|
216190 |
85085859 |
1 |
N2O5C10H14 |
A2B5C10D14 |
-227.69 |
4.48 |
-10.54 |
-0.37 |
0 |
|
|
216191 |
85085860 |
1 |
FO2H9C15 |
AB2C9D15 |
-48.59 |
6.84 |
-9.53 |
-1.32 |
0 |
|
|
216192 |
85085864 |
2 |
NOH6C7 |
ABC6D7 |
11.05 |
3.28 |
-9.94 |
-0.29 |
0 |
|
|
216193 |
85085865 |
1 |
ON2C15H16 |
AB2C15D16 |
38.27 |
2.48 |
-8.66 |
-0.68 |
0 |
|
|
216194 |
85085867 |
1 |
OSN4C10H20 |
ABC4D10E20 |
23.9 |
4.57 |
-8.57 |
-0.77 |
0 |
|
|
216195 |
85085869 |
1 |
O3C14H24 |
A3B14C24 |
-160.16 |
4.27 |
-10.06 |
0.04 |
0 |
|
|
216196 |
85085870 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-72.53 |
4.11 |
-8.73 |
0.38 |
0 |
|
|
216197 |
85085871 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-70.79 |
1.86 |
-9.02 |
1.05 |
0 |
|
|
216198 |
85085872 |
1 |
O2C15H28 |
A2B15C28 |
-132.94 |
1.27 |
-9.37 |
2.23 |
0 |
|
|
216199 |
85085873 |
1 |
PS3C8H17 |
AB3C8D17 |
-64.13 |
6.44 |
-8.6 |
0.05 |
0 |
|
|
216200 |
85085874 |
1 |
OSiC14H28 |
ABC14D28 |
-113.28 |
3.04 |
-8.91 |
0.97 |
0 |
|
|
216201 |
85085875 |
1 |
OSiC14H28 |
ABC14D28 |
-127.46 |
2.14 |
-8.71 |
1.27 |
0 |
|
|
216202 |
85085884 |
1 |
NSO4C10H11 |
ABC4D10E11 |
-62.35 |
6.52 |
-10.76 |
-1.8 |
0 |
|
|
216203 |
85085885 |
1 |
SN3O3C9H11 |
AB3C3D9E11 |
-35.47 |
5.63 |
-8.77 |
-0.76 |
0 |
|
|
216204 |
85085888 |
1 |
NO2C15H15 |
AB2C15D15 |
-44.06 |
4.81 |
-8.7 |
-0.88 |
0 |
|
|
216205 |
85085890 |
1 |
OSN3C11H23 |
ABC3D11E23 |
-63.25 |
5.03 |
-8.85 |
0.34 |
0 |
|
|
216206 |
85085891 |
1 |
F3O3C11H11 |
A3B3C11D11 |
-271.11 |
8.32 |
-10.54 |
-1.28 |
0 |
|
|
216207 |
85085892 |
1 |
OF5C10H11 |
AB5C10D11 |
-266.04 |
4.4 |
-10.88 |
0.77 |
0 |
|
|
216208 |
85085893 |
1 |
F2O3C12H12 |
A2B3C12D12 |
-203.28 |
4.04 |
-9.68 |
-0.49 |
0 |
|
|
216209 |
85085894 |
2 |
ON2C6H9 |
AB2C6D9 |
-65.3 |
5.29 |
-9.48 |
0.33 |
0 |
|
|
216210 |
85085895 |
1 |
O5C12H18 |
A5B12C18 |
-196.23 |
2.42 |
-10.84 |
0.59 |
0 |
|
|
216211 |
85085896 |
1 |
O5C12H18 |
A5B12C18 |
-214.01 |
2.94 |
-10.68 |
-1.25 |
0 |
|
|
216212 |
85085897 |
1 |
O3H14C15 |
A3B14C15 |
-92.98 |
2.9 |
-9.04 |
-0.67 |
0 |
|
|
216213 |
85085898 |
1 |
OSN2C13H14 |
ABC2D13E14 |
3.42 |
4.75 |
-8.76 |
-0.26 |
0 |
|
|
216214 |
85085899 |
1 |
O4C13H22 |
A4B13C22 |
-201.93 |
0.69 |
-10.58 |
-0.2 |
0 |
|
|
216215 |
85085902 |
1 |
SO2C13H22 |
AB2C13D22 |
-82.35 |
1.68 |
-9.52 |
0.06 |
0 |
|
|
216216 |
85085903 |
1 |
O2C15H30 |
A2B15C30 |
-72.8 |
2.86 |
-9.74 |
0.41 |
0 |
|
|
216217 |
85085904 |
1 |
O2C15H30 |
A2B15C30 |
-159.16 |
3.82 |
-9.55 |
2.61 |
0 |
|
|
216218 |
85085908 |
1 |
Cl2O3C9H16 |
A2B3C9D16 |
-196.79 |
5.37 |
-10.84 |
0.02 |
0 |
|
|
216219 |
85085909 |
1 |
O2N5H9C11 |
A2B5C9D11 |
133.04 |
2.86 |
-9.44 |
-1.25 |
0 |
|
|
216220 |
85085910 |
1 |
NO5C11H17 |
AB5C11D17 |
-226.29 |
5.92 |
-9.4 |
-0.44 |
0 |
|
|
216221 |
85085911 |
1 |
NO5C11H17 |
AB5C11D17 |
-150.39 |
1.99 |
-10.75 |
-1.22 |
0 |
|
|
216222 |
85085912 |
1 |
NO3H13C14 |
AB3C13D14 |
-52.95 |
7.74 |
-9.67 |
-1.86 |
0 |