(2R,11R)-6,11-Diethyl-3-(Furan-3-Ylmethyl)-1,2,3,4,5,6-Hexahydro-2,6-Methano-3-Benzazocin-8-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H27NO2
IUPAC Name (1r,9r,13r)-1,13-diethyl-10-(3-furylmethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular Mass 325.445 g·mol−1
Heat of Formation -216.8 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 413.82 Å 3
Surface Area 336.86 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-2-(3-furylmethyl)-2'-hydroxy-5,9alpha-diethyl-6,7-benzomorphan hydrochloride
  • (-)-2-(3-furylmethyl)-5,9-diethyl-2'-hydroxy-6,7-benzomorphan
  • (-)-mr 2266
  • 2,6-methano-3-benzazocin-8-ol, 6,11-diethyl-3-(3-furanylmethyl)-1,2,3,4,5,6-hexahydro-, (2r,6r,11r)-
  • 2,6-methano-3-benzazocin-8-ol, 6,11-diethyl-3-(3-furanylmethyl)-1,2,3,4,5,6-hexahydro-, (2r-(2alpha,6alpha,11r*))-
  • mr 2266
  • mr-2266
  • mr-2266-bs
  • mrz 2266 bs
CAS Number(s)
  • 56649-76-4
InChIKey HEYXXBUDMDVUNQ-CEWLAPEOSA-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