Benzilic Acid 3A-Tropanyl Ester

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Properties Simple | Detailed

Formula C22H25NO3
IUPAC Name [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenyl-acetate
Molecular Mass 351.439 g·mol−1
Heat of Formation -356.1 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 433.88 Å 3
Surface Area 364.6 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-2,2-di(phenyl)acetic acid [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-di(phenyl)acetate
  • [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-di(phenyl)ethanoate
InChIKey XXVZGWNHSCGMCT-ACDBMABISA-N
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