5-(2-Fluorophenyl)-1,3-Dihydro-1-Methyl-2H-1,4-Benzodiazepin-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H13FN2O
IUPAC Name 5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-one
Molecular Mass 268.286 g·mol−1
Heat of Formation -61.2 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 310.83 Å 3
Surface Area 274.92 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-one
CAS Number(s)
  • 844-11-1
InChIKey YVTVBCWQHDDTGB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F