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

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Properties Simple | Detailed

Formula C14H17NO2
IUPAC Name [(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Molecular Mass 231.290 g·mol−1
Heat of Formation -265.2 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 282.06 Å 3
Surface Area 250.69 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
  • benzoic acid [(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] ester
InChIKey AZHSHGVBEAPALY-ITGUQSILSA-N
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