(1R,2R,4S)-2-(6-Fluoro-3-Pyridinyl)-7-Azabicyclo[2.2.1]Heptane

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Properties Simple | Detailed

Formula C11H14FN2
IUPAC Name (1s,3r,4r)-3-(6-fluoropyridin-1-ium-3-id-3-yl)-7-azabicyclo[2.2.1]heptane
Molecular Mass 193.241 g·mol−1
Heat of Formation -15.9 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 229.97 Å 3
Surface Area 214.26 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s,6r)-6-(6-fluoro-3-pyridyl)-7-azabicyclo[2.2.1]heptane
  • (1r,4s,6r)-6-(6-fluoropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
  • pdsp2_001200
InChIKey DCJIJGZSYBOUGL-IVZWLZJFSA-N
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Elements H C N F