N-[(3R)-1-Azabicyclo[2.2.2]Oct-3-Yl]-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide

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Properties Simple | Detailed

Formula C16H20N2O3
IUPAC Name n-[(3r)-quinuclidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular Mass 288.342 g·mol−1
Heat of Formation -381.7 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 339.05 Å 3
Surface Area 302.53 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3r)-3-quinuclidinyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
  • n-[(3r)-quinuclidin-3-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
  • n-[(8r)-1-azabicyclo[2.2.2]octan-8-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
InChIKey LUVXHMJTVXZFPD-ZDUSSCGKSA-N
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