| Formula |
C21H20N5+ |
| IUPAC Name |
3-cyclopropyl-5-phenyl-n-(pyridin-1-ium-3-id-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-amine |
| Molecular Mass |
342.417 g·mol−1 |
| Heat of Formation |
651.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.43 ± 1.08 D |
| Volume |
413.95 Å 3 |
| Surface Area |
378.45 Å 2 |
| HOMO Energy |
-8.34 ± 0.55 eV |
| LUMO Energy |
1.16 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3-cyclopropyl-5-phenyl-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-yl)-(3-pyridylmethyl)amine
- 3-cyclopropyl-5-phenyl-n-(3-pyridylmethyl)-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-amine
|
| InChIKey |
RHVKEANNYJFNNT-UHFFFAOYSA-O |
| QR Code |
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| Links |
PubChem
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
|
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