3-Methyl-7-(2-Thienyl)-1,2,3,4,4A,5-Hexahydropyrazino[1,2-A][1,4]Benzodiazepine
Properties
| Property | Value |
|---|---|
| Formula | C17H19N3S |
| IUPAC Name | (3s,4ar,12s)-3-methyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1h-pyrazino[1,2-a][1,4]benzodiazepine |
| Molecular Mass | 297.418 g·mol−1 |
| Heat of Formation | 368.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.70 ± 1.08 D |
| Volume | 359.81 Å 3 |
| Surface Area | 303.85 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | -0.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XQBGBAIMRUCERS-ZDUSSCGKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C N |