| Formula |
C19H16BrN5O |
| IUPAC Name |
3-bromo-5-(o-tolyl)-n-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine |
| Molecular Mass |
410.267 g·mol−1 |
| Heat of Formation |
3217.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
13.66 ± 1.08 D |
| Volume |
372.31 Å 3 |
| Surface Area |
343.5 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
-3.01 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-bromo-5-(2-methylphenyl)-n-[(1-oxido-3-pyridin-1-iumyl)methyl]-7-pyrazolo[5,1-b]pyrimidinamine
- 3-bromo-5-(2-methylphenyl)-n-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[5,1-b]pyrimidin-7-amine
- [3-bromo-5-(2-methylphenyl)pyrazolo[5,1-b]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-3-yl)methyl]amine
|
| InChIKey |
DXUJQXZHHGJMFM-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
C
O
Br
N
|
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