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

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Formula C15H17Cl2NO2
IUPAC Name methyl (1r,3r,4s,5s)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 314.207 g·mol−1
Heat of Formation -354.9 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 349.46 Å 3
Surface Area 299.75 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey JFUNLJPTPCQLIR-OAACRXHESA-N
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Elements H C N O Cl