Formula |
C23H27ClFN3O2 |
IUPAC Name |
4-amino-5-chloro-n-[(1s,5r)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxy-benzamide |
Molecular Mass |
431.931 g·mol−1 |
Heat of Formation |
-443.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.00 ± 1.08 D |
Volume |
501.22 Å 3 |
Surface Area |
424.66 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
-0.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PSOJUYFGYMSZHW-NNZMDNLPSA-N |
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Elements |
C
F
H
Cl
O
N
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