5-[(Z)-(5-Chloro-2-Oxo-1,2-Dihydro-3H-Indol-3-Ylidene)Methyl]-N-[2-(Diethylamino)Ethyl]-2,4-Dimethyl-1H-Pyrrole-3-Carboxamide

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Properties Simple | Detailed

Formula C22H27ClN4O2
IUPAC Name 5-[(z)-(5-chloro-2-oxo-indolin-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-pyrrol-1-ium-2-ylium-3-carboxamide
Molecular Mass 414.928 g·mol−1
Heat of Formation -193.7 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 500.39 Å 3
Surface Area 443.59 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(z)-(5-chloro-2-keto-indolin-3-ylidene)methyl]-n-(2-diethylaminoethyl)-2,4-dimethyl-1h-pyrrole-3-carboxamide
  • 5-[(z)-(5-chloro-2-oxo-3-indolinylidene)methyl]-n-(2-diethylaminoethyl)-2,4-dimethyl-1h-pyrrole-3-carboxamide
  • 5-[(z)-(5-chloro-2-oxo-indolin-3-ylidene)methyl]-n-(2-diethylaminoethyl)-2,4-dimethyl-1h-pyrrole-3-carboxamide
  • k00239
  • smp2_000033
  • su11248 analog 12c
  • su11652
InChIKey XPLJEFSRINKZLC-ATVHPVEESA-N
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Elements H C N O Cl