Anisodamine

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Properties Simple | Detailed

Formula C17H23NO4
IUPAC Name [(1s,3s,5s,6s,8s)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenyl-propanoate
Molecular Mass 305.369 g·mol−1
Heat of Formation -678.1 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 373.0 Å 3
Surface Area 315.21 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-hydroxy-2-phenyl-propionic acid [(1s,3s,5s,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • (2s)-3-hydroxy-2-phenylpropanoic acid [(1s,3s,5s,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • [(1s,3s,5s,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenyl-propanoate
  • [(1s,3s,5s,7s)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate
InChIKey WTQYWNWRJNXDEG-LEOABGAYSA-N
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