(±)-Cis-2,3,4,5-Tetrahydro-3-(Methylamino)-1-Benzoxepin-5-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15NO2
IUPAC Name (3s,5r)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Molecular Mass 193.242 g·mol−1
Heat of Formation -264.9 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 237.41 Å 3
Surface Area 221.4 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-cis-2,3,4,5-tetrahydro-3-(methylamino)-1-benzoxepin-5-ol
  • (3s,5r)-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
  • 1-benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, cis-(+-)-
  • exepanol
CAS Number(s)
  • 77416-65-0
InChIKey JWUPWOYNGNTOKD-WCBMZHEXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N