Formula |
C21H27F3N4O |
IUPAC Name |
6-[[(3s,4s)-4-[2-[[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino]ethoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine |
Molecular Mass |
408.460 g·mol−1 |
Heat of Formation |
-649.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.48 ± 1.08 D |
Volume |
485.62 Å 3 |
Surface Area |
381.89 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
-0.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IRAITVAESBBILD-HNAYVOBHSA-N |
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Elements |
H
C
F
O
N
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