(1S,5R,8E)-8-Benzylidene-5-(3-Hydroxyphenyl)-2-Methyl-2-Azabicyclo[3.3.1]Nonan-7-One

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Properties Simple | Detailed

Formula C22H23NO2
IUPAC Name (1s,2s,5r,8e)-8-benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
Molecular Mass 333.424 g·mol−1
Heat of Formation 117.6 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 409.51 Å 3
Surface Area 342.02 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(1r,5r)-e-8-benzylidene-5-(3-hydroxyphenyl)-2-methylmorphan-7-one
  • (1r,4e,5s)-1-(3-hydroxyphenyl)-6-methyl-4-(phenylmethylene)-6-azabicyclo[3.3.1]nonan-3-one
  • (1r,4e,5s)-1-(3-hydroxyphenyl)-6-methyl-4-(phenylmethylidene)-6-azabicyclo[3.3.1]nonan-3-one
  • (1r,4e,5s)-4-(benzylidene)-1-(3-hydroxyphenyl)-6-methyl-6-azabicyclo[3.3.1]nonan-3-one
  • 2-azabicyclo[3.3.1]nonan-7-one, 5-(3-hydroxyphenyl)-2-methyl-8-(phenylmethylene)-, (1s,5r,8e)-
  • cb 64d
  • cb-64d
  • cb64d
InChIKey YVMTWTZIAIUURI-ZEMSYJSHSA-N
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