4-[4-(1H-Imidazol-1-Yl)Phenyl]-3-Methyl-1,5-Dihydro-2H-Pyrrol-2-One

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Properties Simple | Detailed

Formula C14H13N3O
IUPAC Name 3-[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenyl]-4-methyl-1,2-dihydropyrrol-5-one
Molecular Mass 239.273 g·mol−1
Heat of Formation 146.8 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 289.56 Å 3
Surface Area 267.96 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-dh-ipmpo
  • 1,5-dihydro-4-(4-(1h-imidazol-1-yl)phenyl)-3-methyl-2h-pyrrol-2-one
  • 4-(4-imidazol-1-ylphenyl)-3-methyl-3-pyrrolin-2-one
  • 4-[4-(1-imidazolyl)phenyl]-3-methyl-1,5-dihydropyrrol-2-one
CAS Number(s)
  • 115621-49-3
InChIKey LFSVTQCVEVAXED-UHFFFAOYSA-N
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