4,6-Dichloro-3-[(E)-(2-Oxo-1-Phenyl-3-Pyrrolidinylidene)Methyl]-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H14Cl2N2O3
IUPAC Name 4,6-dichloro-3-[(e)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl]-1h-indole-2-carboxylate
Molecular Mass 401.243 g·mol−1
Heat of Formation 1848.8 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 326.77 Å 3
Surface Area 255.31 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -2.84 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6-dichloro-3-[(e)-(2-keto-1-phenyl-pyrrolidin-3-ylidene)methyl]-1h-indole-2-carboxylate
  • 4,6-dichloro-3-[(e)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-1h-indole-2-carboxylate
  • 4,6-dichloro-3-[(e)-(2-oxo-1-phenyl-pyrrolidin-3-ylidene)methyl]-1h-indole-2-carboxylate
InChIKey VDIRQCDDCGAGET-DHZHZOJOSA-M
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Elements C Cl O N