(3-Exo)-8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl Benzoate

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Properties Simple | Detailed

Formula C15H19NO2
IUPAC Name [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Molecular Mass 245.317 g·mol−1
Heat of Formation -273.8 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 307.18 Å 3
Surface Area 275.98 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 8-azabicyclo(3.2.1)octan-3-ol, 8-methyl-, benzoate (ester), endo-
  • 8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate (ester)
  • 8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-, benzoate (ester), (3-exo)-
  • 8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate
  • benzoic acid [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • benzoyltropeine
  • tropa cocain mfc15 h19 n1 o2
InChIKey XQJMXPAEFMWDOZ-BTTYYORXSA-N
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