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

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Formula C23H25F2NO3
IUPAC Name methyl (1r,3r,4r,5s,8r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 401.446 g·mol−1
Heat of Formation -751.8 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 481.81 Å 3
Surface Area 386.92 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3r,5r)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
InChIKey XSYGBVSQKPLETJ-PLACYPQZSA-N
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