N3-(2,6-Dimethylphenyl)-1-(3-Methoxy-3-Methyl-Butyl)-N6-(4-Piperazin-1-Ylphenyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Ide-3,6-Diamine
Properties
| Property | Value |
|---|---|
| Formula | C29H40N8O |
| IUPAC Name | n3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methyl-butyl)-n6-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-ide-3,6-diamine |
| Molecular Mass | 516.681 g·mol−1 |
| Heat of Formation | 294.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.63 ± 1.08 D |
| Volume | 642.17 Å 3 |
| Surface Area | 551.8 Å 2 |
| HOMO Energy | -7.98 ± 0.55 eV |
| LUMO Energy | 2.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HUIFPCLWXVNGEM-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H C O N |