Formula |
C20H33F2N5O |
IUPAC Name |
6-[[(3s,4s)-4-[2-[[2,2-difluoro-2-[(2r)-2-piperidyl]ethyl]amino]ethoxy]pyrrolidin-3-yl]methyl]-4-methyl-pyridin-2-amine |
Molecular Mass |
397.506 g·mol−1 |
Heat of Formation |
-591.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.82 ± 1.08 D |
Volume |
497.28 Å 3 |
Surface Area |
424.02 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
0.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PYDITBVREMCKIX-CGTJXYLNSA-N |
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Elements |
H
C
F
O
N
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