(-)-Lobeline

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Properties Simple | Detailed

Formula C22H27NO2
IUPAC Name 2-[(1r,2r,6s)-6-[(2s)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanone
Molecular Mass 337.455 g·mol−1
Heat of Formation -231.4 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 435.4 Å 3
Surface Area 336.76 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanone
  • 2-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenyl-ethyl]-1-methyl-piperidin-2-yl]-1-phenyl-ethanone
  • 2-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenylethanone
  • 2-[(2r,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
  • 2-{(2r,6s)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone
  • bpbio1_000474
  • d02364
CAS Number(s)
  • 90-69-7
InChIKey MXYUKLILVYORSK-HBMCJLEFSA-N
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