(3E)-4-(1-Methyl-1H-Indol-3-Yl)-3-Buten-2-One

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Properties Simple | Detailed

Formula C13H13NO
IUPAC Name (e)-4-(1-methyl-2h-indol-1-ium-2-ylium-3-yl)but-3-en-2-one
Molecular Mass 199.248 g·mol−1
Heat of Formation 38.0 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 253.17 Å 3
Surface Area 245.04 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 3.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one
  • (e)-4-(1-methyl-3-indolyl)but-3-en-2-one
  • (e)-4-(1-methylindol-3-yl)but-3-en-2-one
  • 4-(1-methyl-3-indolyl)but-3-en-2-one
  • 4-(1-methylindol-3-yl)but-3-en-2-one
InChIKey HCYQBFAGILCNRB-BQYQJAHWSA-N
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