2-[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 | C24H26N6O2 |
| IUPAC Name | 2-[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 | 430.502 g·mol−1 |
| Heat of Formation | 83.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.44 ± 1.08 D |
| Volume | 501.92 Å 3 |
| Surface Area | 438.41 Å 2 |
| HOMO Energy | -8.22 ± 0.55 eV |
| LUMO Energy | 2.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CIMLYKPUTJYLBH-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |