(1R)-9-[(3S,4S)-1,3-Dimethyl-4-Piperidinyl]-8-(2-Fluorophenyl)-1-Methyl-3,5-Dihydro[1,2,4]Triazino[3,4-C][1,4]Benzoxazin-2(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C24H27FN4O2 |
| IUPAC Name | (1r)-9-[(1s,3s,4s)-1,3-dimethyl-4-piperidyl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro-1h-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one |
| Molecular Mass | 422.495 g·mol−1 |
| Heat of Formation | -232.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.94 ± 1.08 D |
| Volume | 499.54 Å 3 |
| Surface Area | 397.22 Å 2 |
| HOMO Energy | -8.40 ± 0.55 eV |
| LUMO Energy | 2.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BLWOBXIQFDYTRF-OAGGEKHMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |