| Formula |
C25H22N7O2+ |
| IUPAC Name |
2-[[4-amino-3-(3-hydroxyprop-1-ynyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(o-tolyl)-3h-quinazolin-3-ium-4-one |
| Molecular Mass |
452.488 g·mol−1 |
| Heat of Formation |
431.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.54 ± 1.08 D |
| Volume |
527.05 Å 3 |
| Surface Area |
440.12 Å 2 |
| HOMO Energy |
-8.93 ± 0.55 eV |
| LUMO Energy |
-0.87 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GJBJSDBBRWPDBE-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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