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 |