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

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Formula C15H17Cl2NO2
IUPAC Name methyl (1s,3s,4s,5r)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 314.207 g·mol−1
Heat of Formation -339.6 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 347.79 Å 3
Surface Area 292.15 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 2-carbomethoxy-3-(3,4-dichlorophenyl)tropane
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(3,4-dichlorophenyl)-, methyl ester, (1r-(exo,exo))-
  • cdct cpd
  • dichloropane
CAS Number(s)
  • 146725-34-0
InChIKey JFUNLJPTPCQLIR-PJQZNRQZSA-N
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Elements H C N O Cl