Ethyl 4-[(4-Benzyl-1-Piperazinyl)Carbonyl]-1-Ethyl-3,5-Dimethyl-1H-Pyrrole-2-Carboxylate

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Properties Simple | Detailed

Formula C23H31N3O3
IUPAC Name ethyl 4-(4-benzylpiperazine-1-carbonyl)-1-ethyl-3,5-dimethyl-pyrrol-1-ium-2-ylium-2-carboxylate
Molecular Mass 397.511 g·mol−1
Heat of Formation -435.1 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 505.85 Å 3
Surface Area 414.11 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-ethyl-3,5-dimethyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrrolecarboxylic acid ethyl ester
  • 4-[4-(benzyl)piperazine-1-carbonyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester
  • ethyl 1-ethyl-3,5-dimethyl-4-[4-(phenylmethyl)piperazine-1-carbonyl]pyrrole-2-carboxylate
InChIKey BEPDKTMMVYTHND-UHFFFAOYSA-N
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