Formula |
C23H26Cl2N2O2 |
IUPAC Name |
2-(3,4-dichlorophenyl)-n-[(1s,2s)-5-hydroxy-2-pyrrolidin-1-yl-tetralin-1-yl]-n-methyl-acetamide |
Molecular Mass |
433.371 g·mol−1 |
Heat of Formation |
-279.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.73 ± 1.08 D |
Volume |
507.43 Å 3 |
Surface Area |
413.84 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
2.56 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZGIVNFOUXRBYGI-REWPJTCUSA-N |
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Elements |
H
C
N
O
Cl
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