2-[2-Ethoxy-4-(4-Hydroxy-1-Piperidyl)Anilino]-5,11-Dimethyl-Pyrimido[4,5-B][1,4]Benzodiazepine-1,3-Diium-4A-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C26H30N6O3 |
| IUPAC Name | 2-[2-ethoxy-4-(4-hydroxy-1-piperidyl)anilino]-5,11-dimethyl-pyrimido[4,5-b][1,4]benzodiazepine-1,3-diium-4a-id-6-one |
| Molecular Mass | 474.555 g·mol−1 |
| Heat of Formation | -117.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.98 ± 1.08 D |
| Volume | 561.41 Å 3 |
| Surface Area | 476.93 Å 2 |
| HOMO Energy | -8.03 ± 0.55 eV |
| LUMO Energy | 2.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OLVDXOPWNQFAIS-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |