10-Fluoro-1,2,3,4,4A,5-Hexahydro-7-(2-Thienyl)Pyrazino(1,2-A)(1,4)Benzodiazepine
Properties
Property | Value |
---|---|
Formula | C16H16FN3S |
IUPAC Name | (4ar,12s)-10-fluoro-7-(2-thienyl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine |
Molecular Mass | 301.382 g·mol−1 |
Heat of Formation | 173.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.38 ± 1.08 D |
Volume | 343.5 Å 3 |
Surface Area | 292.42 Å 2 |
HOMO Energy | -8.60 ± 0.55 eV |
LUMO Energy | -0.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | PVYHRFIWKKDZDL-GFCCVEGCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S N C F |