Formula |
C23H16F3N3O |
IUPAC Name |
5-fluoro-2-[2-fluoro-5-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl)imidazo[1,2-a]pyridin-4-ium-3-ylium-3-yl]phenyl]benzonitrile |
Molecular Mass |
407.388 g·mol−1 |
Heat of Formation |
-264.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.33 ± 1.08 D |
Volume |
457.94 Å 3 |
Surface Area |
387.1 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
1.60 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-fluoro-2-[2-fluoro-5-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl)imidazo[3,2-a]pyridin-3-yl]phenyl]benzonitrile
- 5-fluoro-2-[2-fluoro-5-[8-fluoro-7-(1-hydroxy-1-methylethyl)-3-imidazo[3,2-a]pyridinyl]phenyl]benzonitrile
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InChIKey |
SJMMDWXJSSJHOQ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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