5-[3-(2-Methoxyphenyl)-1H-Pyrrolo[2,3-B]Pyridin-5-Yl]-N,N-Dimethylnicotinamide

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Properties Simple | Detailed

Formula C22H20N4O2
IUPAC Name 5-[3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-ium-3-id-5-yl]-n,n-dimethyl-pyridine-3-carboxamide
Molecular Mass 372.420 g·mol−1
Heat of Formation 101.7 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 444.44 Å 3
Surface Area 386.35 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[3-(2-methoxyphenyl)-1h-pyrrolo[3,2-e]pyridin-5-yl]-n,n-dimethyl-3-pyridinecarboxamide
  • 5-[3-(2-methoxyphenyl)-1h-pyrrolo[3,2-e]pyridin-5-yl]-n,n-dimethyl-nicotinamide
  • 5-[3-(2-methoxyphenyl)-1h-pyrrolo[3,2-e]pyridin-5-yl]-n,n-dimethyl-pyridine-3-carboxamide
  • p3y
InChIKey GYQRHHQPEMOLKH-UHFFFAOYSA-N
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