| Formula |
C21H22N6O2 |
| IUPAC Name |
1-[4-amino-3-[2-(cyclopropoxy)quinolin-1-ium-4a-id-6-yl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl]-2-methyl-propan-2-ol |
| Molecular Mass |
390.438 g·mol−1 |
| Heat of Formation |
165.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.96 ± 1.08 D |
| Volume |
460.47 Å 3 |
| Surface Area |
401.73 Å 2 |
| HOMO Energy |
-8.88 ± 0.55 eV |
| LUMO Energy |
1.98 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
GMOMANAQLMPAJN-UHFFFAOYSA-O |
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| DOI |
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| Elements |
H
C
O
N
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