N-(1-(4-Chlorobenzyl)-4-Methoxy-1H-Indol-2-Ylmethyl)Propionamide

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Properties Simple | Detailed

Formula C20H21ClN2O2
IUPAC Name n-[[1-[(4-chlorophenyl)methyl]-4-methoxy-indol-1-ium-2-ylium-2-yl]methyl]propanamide
Molecular Mass 356.846 g·mol−1
Heat of Formation -181.0 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 422.85 Å 3
Surface Area 359.51 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[1-(4-chlorobenzyl)-4-methoxy-indol-2-yl]methyl]propionamide
  • n-[[1-[(4-chlorophenyl)methyl]-4-methoxy-2-indolyl]methyl]propanamide
  • n-[[1-[(4-chlorophenyl)methyl]-4-methoxy-indol-2-yl]methyl]propanamide
  • n-[[1-[(4-chlorophenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide
InChIKey XXXKKZBZKUDKMA-UHFFFAOYSA-N
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Elements H C N O Cl