Formula |
C21H27ClFN3O2 |
IUPAC Name |
6-[[(3r,4r)-4-[4-(3-chloro-5-fluoro-phenoxy)butoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine |
Molecular Mass |
407.909 g·mol−1 |
Heat of Formation |
-451.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.15 ± 1.08 D |
Volume |
489.97 Å 3 |
Surface Area |
443.88 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
2.51 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AXHBVFDWXKWFTE-QRWLVFNGSA-N |
QR Code |
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Links |
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Elements |
C
F
H
Cl
O
N
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