Formula |
C19H21ClF2N4O |
IUPAC Name |
(3-chloro-4-fluoro-phenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]-1-piperidyl]methanone |
Molecular Mass |
394.846 g·mol−1 |
Heat of Formation |
-402.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.74 ± 1.08 D |
Volume |
450.61 Å 3 |
Surface Area |
395.89 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
2.21 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3-chloro-4-fluoro-phenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
- (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-2-pyrimidinyl)methylamino]methyl]-1-piperidinyl]methanone
- (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
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InChIKey |
WAAXKNFGOFTGLP-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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