(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl (4-Methylphenyl)Acetate

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Properties Simple | Detailed

Formula C17H23NO2
IUPAC Name [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(p-tolyl)acetate
Molecular Mass 273.370 g·mol−1
Heat of Formation -350.1 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 351.14 Å 3
Surface Area 306.92 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
InChIKey ASYPNTRQZFTOSA-MUJYYYPQSA-N
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