N-[(2S,3S)-2-(3-Pyridinylmethyl)-1-Azabicyclo[2.2.2]Oct-3-Yl]-1-Benzofuran-2-Carboxamide

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Properties Simple | Detailed

Formula C22H23N3O2
IUPAC Name n-[(2s,3s)-2-(3-pyridylmethyl)quinuclidin-3-yl]benzofuran-2-carboxamide
Molecular Mass 361.437 g·mol−1
Heat of Formation 4.6 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 432.48 Å 3
Surface Area 370.89 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2s,3s)-2-(3-pyridylmethyl)-3-quinuclidinyl]-2-benzofurancarboxamide
  • n-[(2s,3s)-2-(3-pyridylmethyl)quinuclidin-3-yl]benzofuran-2-carboxamide
  • n-[(7s,8s)-7-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-8-yl]-1-benzofuran-2-carboxamide
  • tc-5619
InChIKey OXKRFEWMSWPKKV-RXVVDRJESA-N
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