1-(3-Carbamimidoylbenzyl)-N-(3,5-Dimethylbenzyl)-4-Methyl-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C27H28N4O
IUPAC Name 1-[(3-carbamimidoylphenyl)methyl]-n-[(3,5-dimethylphenyl)methyl]-4-methyl-7h-indol-1-ium-7-ide-2-carboxamide
Molecular Mass 424.537 g·mol−1
Heat of Formation 148.1 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 532.22 Å 3
Surface Area 457.8 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-amidinobenzyl)-n-(3,5-dimethylbenzyl)-4-methyl-indole-2-carboxamide
  • 1-[(3-carbamimidoylphenyl)methyl]-n-[(3,5-dimethylphenyl)methyl]-4-methyl-2-indolecarboxamide
  • 1-[(3-carbamimidoylphenyl)methyl]-n-[(3,5-dimethylphenyl)methyl]-4-methyl-indole-2-carboxamide
  • 1-[(3-carbamimidoylphenyl)methyl]-n-[(3,5-dimethylphenyl)methyl]-4-methylindole-2-carboxamide
InChIKey JSQZLEYFOOSZPU-UHFFFAOYSA-N
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