Formula |
C21H26ClN3O2 |
IUPAC Name |
n-[(2s,3s)-1-benzyl-2-methyl-pyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide |
Molecular Mass |
387.903 g·mol−1 |
Heat of Formation |
-215.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.74 ± 1.08 D |
Volume |
479.35 Å 3 |
Surface Area |
397.26 Å 2 |
HOMO Energy |
-8.54 ± 0.55 eV |
LUMO Energy |
-0.14 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KRVOJOCLBAAKSJ-KSSFIOAISA-N |
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Elements |
H
C
N
O
Cl
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