Formula |
C29H30F3N5 |
IUPAC Name |
n-[(1s,3z,5z)-cycloocta-3,5-dien-1-yl]-4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-ium-4-id-4-yl]-3h-pyridin-1-ium-3-id-2-amine |
Molecular Mass |
505.577 g·mol−1 |
Heat of Formation |
-278.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.63 ± 1.08 D |
Volume |
602.19 Å 3 |
Surface Area |
493.29 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
2.44 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[3-methyl-2-(4-piperidinyl)-5-[3-(trifluoromethyl)phenyl]-4-imidazolyl]-n-[(1s)-1-phenylethyl]-2-pyridinamine
- 4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-n-[(1s)-1-phenylethyl]pyridin-2-amine
- 4-[3-methyl-2-piperidin-4-yl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-n-[(1s)-1-phenylethyl]pyridin-2-amine
- [4-[3-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-2-pyridyl]-[(1s)-1-phenylethyl]amine
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InChIKey |
ZLQKJFNLHHGAQF-IBGZPJMESA-N |
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Elements |
H
C
N
F
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