| Formula |
C25H26N6O2 |
| IUPAC Name |
1-[(3r)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl]-1-piperidyl]propan-1-one |
| Molecular Mass |
442.513 g·mol−1 |
| Heat of Formation |
125.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.77 ± 1.08 D |
| Volume |
523.5 Å 3 |
| Surface Area |
453.91 Å 2 |
| HOMO Energy |
-8.80 ± 0.55 eV |
| LUMO Energy |
2.47 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ROGRQCNRPWIQJN-GOSISDBHSA-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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