3-{5-[(Dipropylamino)Methyl]-1,2,4-Oxadiazol-3-Yl}-8-Fluoro-5-Methyl-4,5-Dihydro-6H-Imidazo[1,5-A][1,4]Benzodiazepin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H25FN6O2
IUPAC Name 3-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepin-6-one
Molecular Mass 412.461 g·mol−1
Heat of Formation -41.8 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 491.77 Å 3
Surface Area 410.36 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey NOQIYRGMEFBZTI-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F