N-{4-[(Methylamino)Methyl]Phenyl}-4-Oxo-4,5,6,7-Tetrahydro-1H-Indole-3-Carboxamide

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Properties Simple | Detailed

Formula C17H19N3O2
IUPAC Name n-[4-(methylaminomethyl)phenyl]-4-oxo-6,7-dihydro-5h-indol-1-ium-7a-ylium-3-carboxamide
Molecular Mass 297.352 g·mol−1
Heat of Formation -172.5 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 352.8 Å 3
Surface Area 325.73 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-keto-n-[4-(methylaminomethyl)phenyl]-1,5,6,7-tetrahydroindole-3-carboxamide
InChIKey XFJIYNUISLDNLP-UHFFFAOYSA-N
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