Formula |
C21H29Cl2FN2O2 |
IUPAC Name |
3,5-dichloro-n-[[1-[[(4s)-2,2-dimethyltetrahydropyran-4-yl]methyl]-4-fluoro-4-piperidyl]methyl]benzamide |
Molecular Mass |
431.372 g·mol−1 |
Heat of Formation |
-662.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.86 ± 1.08 D |
Volume |
515.43 Å 3 |
Surface Area |
432.56 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
2.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DKNDOKIVCXTFHJ-HNNXBMFYSA-N |
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Elements |
C
F
H
Cl
O
N
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