4-Amino-N-[(3R)-1-Azabicyclo[2.2.2]Oct-3-Yl]-5-Chloro-2,3-Dihydro-1-Benzofuran-7-Carboxamide

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Properties Simple | Detailed

Formula C16H20ClN3O2
IUPAC Name 4-amino-5-chloro-n-[(3r)-quinuclidin-3-yl]-2,3-dihydrobenzofuran-7-carboxamide
Molecular Mass 321.802 g·mol−1
Heat of Formation -298.6 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 368.23 Å 3
Surface Area 317.88 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-chloro-n-[(3r)-3-quinuclidinyl]-2,3-dihydrobenzofuran-7-carboxamide
  • 4-amino-5-chloro-n-[(3r)-quinuclidin-3-yl]-2,3-dihydrobenzofuran-7-carboxamide
  • 4-amino-n-(1-azabicyclo(2.2.2)oct-3-yl)-5-chloro-2,3-dihydrobenzo(b)-furan-7-carboxamide
  • 4-amino-n-[(8r)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
  • 7-benzofurancarboxamide, 4-amino-n-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2,3-dihydro-, (r)-
  • adr 882
  • adr-882
CAS Number(s)
  • 138559-57-6
InChIKey RZYIIEGPJPMBOE-ZDUSSCGKSA-N
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Elements H C N O Cl