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

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Properties Simple | Detailed

Formula C6H7NO
IUPAC Name 1-(2h-pyrrol-1-ium-2-ylium-3-yl)ethanone
Molecular Mass 109.126 g·mol−1
Heat of Formation -78.0 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 137.25 Å 3
Surface Area 145.47 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry Cs
Synonyms
  • btb 07157
  • gl-0661
CAS Number(s)
  • 1072-82-8
InChIKey KHHSXHXUQVNBGA-UHFFFAOYSA-N
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