(3-Endo)-8-[(2R)-2-Hydroxy-2-Phenylethyl]-8-Azabicyclo[3.2.1]Oct-3-Yl Benzoate

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Formula C22H25NO3
IUPAC Name [(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Molecular Mass 351.439 g·mol−1
Heat of Formation -365.7 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 435.23 Å 3
Surface Area 368.4 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey CAELFFAMXVUOKR-BQJUDKOJSA-N
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