1-[5-(4-Chlorobenzoyl)-1,2,4-Trimethyl-1H-Pyrrol-3-Yl]-2-(1-Piperidinyl)Ethanone

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Formula C21H25ClN2O2
IUPAC Name 1-[5-(4-chlorobenzoyl)-1,2,4-trimethyl-pyrrol-1-ium-2-ylium-3-yl]-2-(1-piperidyl)ethanone
Molecular Mass 372.888 g·mol−1
Heat of Formation -239.9 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 455.95 Å 3
Surface Area 357.7 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-(4-chlorobenzoyl)-1,2,4-trimethyl-pyrrol-3-yl]-2-(1-piperidyl)ethanone
  • 1-[5-(4-chlorobenzoyl)-1,2,4-trimethyl-pyrrol-3-yl]-2-piperidino-ethanone
  • 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-piperidin-1-ylethanone
  • 1-[5-(4-chlorophenyl)carbonyl-1,2,4-trimethyl-pyrrol-3-yl]-2-piperidin-1-yl-ethanone
  • 1-[5-[(4-chlorophenyl)-oxomethyl]-1,2,4-trimethyl-3-pyrrolyl]-2-(1-piperidyl)ethanone
InChIKey BCRATZJXVPSAOZ-UHFFFAOYSA-N
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