(1R)-5-Methyl-1-Phenyl-3,4,5,6-Tetrahydro-1H-2,5-Benzoxazocine

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Properties Simple | Detailed

Formula C17H19NO
IUPAC Name (1r,5s)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
Molecular Mass 253.339 g·mol−1
Heat of Formation 56.3 ± 16.7 kJ·mol−1
Dipole Moment 0.98 ± 1.08 D
Volume 319.94 Å 3
Surface Area 275.4 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
CAS Number(s)
  • 91463-82-0
InChIKey RGPDEAGGEXEMMM-QGZVFWFLSA-N
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