Formula |
C22H29ClFN3O |
IUPAC Name |
6-[[(3r,4r)-4-[5-(3-chloro-5-fluoro-phenyl)pentoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine |
Molecular Mass |
405.937 g·mol−1 |
Heat of Formation |
-335.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.38 ± 1.08 D |
Volume |
503.02 Å 3 |
Surface Area |
452.13 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
2.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MZDDSPGKIFAODF-UTKZUKDTSA-N |
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Elements |
C
Cl
H
F
O
N
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