Formula |
C25H32Cl2N2O2 |
IUPAC Name |
(2s)-2-(3,4-dichlorophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile |
Molecular Mass |
463.440 g·mol−1 |
Heat of Formation |
-219.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.08 ± 1.08 D |
Volume |
579.26 Å 3 |
Surface Area |
450.46 Å 2 |
HOMO Energy |
-8.63 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XQDBPRYSHPUSTJ-VWLOTQADSA-N |
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Elements |
H
C
N
O
Cl
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