Methyl (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Formula C16H20ClNO2
IUPAC Name methyl (1s,3s,4s,5r,8s)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 293.789 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 350.91 Å 3
Surface Area 290.95 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-chlorophenyl)-8-methyl-, methyl ester, (1r,2s,3s,5s)-
InChIKey ZEOHVQFWFVMPGM-YJNKXOJESA-N
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Elements H C N O Cl