Formula |
C18H15BrN5+ |
IUPAC Name |
3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)-1h-pyrazolo[1,5-a]pyridin-8-ium-7-amine |
Molecular Mass |
381.249 g·mol−1 |
Heat of Formation |
597.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.93 ± 1.08 D |
Volume |
387.42 Å 3 |
Surface Area |
354.38 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
0.84 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3-bromo-5-phenyl-1h-pyrazolo[5,1-f]pyridin-8-ium-7-yl)-(pyrimidin-5-ylmethyl)amine
- 3-bromo-5-phenyl-n-(5-pyrimidinylmethyl)-1h-pyrazolo[5,1-f]pyridin-8-ium-7-amine
|
InChIKey |
FVXRUBYULLZEGT-UHFFFAOYSA-O |
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Links |
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Elements |
H
C
Br
N
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