3-Hydroxy-4-(4-Methoxyphenyl)-6-(Trifluoromethyl)-1,5-Dihydro-2H-1-Benzazepin-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C18H14F3NO3
IUPAC Name 3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,5-dihydro-1-benzazepin-2-one
Molecular Mass 349.304 g·mol−1
Heat of Formation -921.5 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 373.24 Å 3
Surface Area 318.16 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzazepin-2-one, 1,5-dihydro-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-
  • 4,5-dihydro-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1h-benzazepin-2,3-dione
  • sq 32425
  • sq-32425
CAS Number(s)
  • 137757-01-8
InChIKey VNVKGPFMRDBSEG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F