(4S)-1-Methyl-4-Phenyl-1,3,4,5-Tetrahydro-2H-1,5-Benzodiazepin-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16N2O
IUPAC Name (2s)-5-methyl-2-phenyl-2,3-dihydro-1h-1,5-benzodiazepin-4-one
Molecular Mass 252.311 g·mol−1
Heat of Formation 46.4 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 309.6 Å 3
Surface Area 271.05 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-methyl-2-phenyl-2,3-dihydro-1h-1,5-benzodiazepin-4-one
InChIKey FHOSJKIPIAZPJP-AWEZNQCLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N