4-Amino-N-[(3R)-1-Azabicyclo[2.2.2]Oct-3-Yl]-5-Chloro-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C15H20ClN3O2
IUPAC Name 4-amino-5-chloro-2-methoxy-n-[(3r)-quinuclidin-3-yl]benzamide
Molecular Mass 309.791 g·mol−1
Heat of Formation -301.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 360.86 Å 3
Surface Area 313.16 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-chloro-2-methoxy-n-[(3r)-3-quinuclidinyl]benzamide
  • 4-amino-5-chloro-2-methoxy-n-[(3r)-quinuclidin-3-yl]benzamide
  • 4-amino-n-[(8r)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxy-benzamide
  • 4-amino-n-[(8r)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide
  • pdsp1_001700
  • pdsp2_001683
InChIKey FEROPKNOYKURCJ-ZDUSSCGKSA-N
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Elements H C N O Cl