5-(3-Carbamoylbenzyl)-5,6,7,8,9,10-Hexahydrocyclohepta[B]Indole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H22N2O3
IUPAC Name 5-[(3-carbamoylphenyl)methyl]-7,8,9,10-tetrahydro-6h-cyclohepta[b]indole-4-carboxylic acid
Molecular Mass 362.422 g·mol−1
Heat of Formation -362.8 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 430.84 Å 3
Surface Area 350.94 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(3-carbamoylbenzyl)-7,8,9,10-tetrahydro-6h-cyclohepta[b]indole-4-carboxylic acid
  • 5-[(3-aminocarbonylphenyl)methyl]-7,8,9,10-tetrahydro-6h-cyclohepta[b]indole-4-carboxylic acid
  • 5-[(3-carbamoylphenyl)methyl]-7,8,9,10-tetrahydro-6h-cyclohepta[b]indole-4-carboxylic acid
InChIKey GKBQRPKZHUFGOB-UHFFFAOYSA-N
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