Icf 205-930

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Properties Simple | Detailed

Formula C17H20N2O2
IUPAC Name [(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2h-indol-1-ium-2-ylium-3-carboxylate
Molecular Mass 284.353 g·mol−1
Heat of Formation -198.1 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 343.15 Å 3
Surface Area 297.46 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-carboxylic acid [(1r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
  • d02130
  • ics-205930
  • novaban
  • pdsp1_000776
  • pdsp2_000764
  • stock1n-71105
  • tropisetron (inn)
CAS Number(s)
  • 89565-68-4
InChIKey ZNRGQMMCGHDTEI-ITGUQSILSA-N
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