1-(1-Methyl-1H-Pyrrol-3-Yl)Ethanone

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Properties Simple | Detailed

Formula C7H9NO
IUPAC Name 1-(1-methyl-2h-pyrrol-1-ium-2-ylium-3-yl)ethanone
Molecular Mass 123.152 g·mol−1
Heat of Formation -82.8 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 160.15 Å 3
Surface Area 165.79 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 3.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-methyl-3-pyrrolyl)ethanone
  • 1-(1-methylpyrrol-3-yl)ethanone
  • 3-acetyl-1-methylpyrrole
InChIKey SZYIVZGXCXFXDN-UHFFFAOYSA-N
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