Formula |
C26H27FN2O2 |
IUPAC Name |
4-[4-[[(1s,2s)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluoro-benzamide |
Molecular Mass |
418.503 g·mol−1 |
Heat of Formation |
-322.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.59 ± 1.08 D |
Volume |
522.0 Å 3 |
Surface Area |
399.72 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
2.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZHPMYDSXGRRERG-DEOSSOPVSA-N |
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Elements |
H
C
N
O
F
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