(1R)-9-[(1,3-Dimethyl-3-Azetidinyl)(Methyl)Amino]-1-Methyl-8-Phenyl-3,5-Dihydro[1,2,4]Triazino[3,4-C][1,4]Benzoxazin-2(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C23H27N5O2 |
| IUPAC Name | (1r)-9-[(1,3-dimethylazetidin-3-yl)-methyl-amino]-1-methyl-8-phenyl-3,5-dihydro-1h-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one |
| Molecular Mass | 405.493 g·mol−1 |
| Heat of Formation | 87.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.15 ± 1.08 D |
| Volume | 487.06 Å 3 |
| Surface Area | 381.14 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | 2.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RGCJJZQGWXZHJQ-OAHLLOKOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |