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

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Properties Simple | Detailed

Formula C15H18FNO2
IUPAC Name methyl (1s,3s,4s,5r)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 263.307 g·mol−1
Heat of Formation -464.2 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 313.34 Å 3
Surface Area 265.0 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
InChIKey HQXXRDHSJOKBAP-DGAVXFQQSA-N
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Elements H C N O F