3-{5-[Ammonio(Imino)Methyl]-1H-Indol-2-Yl}-5-Methoxy-2-Biphenylolate

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Properties Simple | Detailed

Formula C22H20N3O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]indol-1-ium-3a-id-2-yl]-4-methoxy-6-phenyl-phenolate
Molecular Mass 358.413 g·mol−1
Heat of Formation 190.1 ± 16.7 kJ·mol−1
Dipole Moment 23.71 ± 1.08 D
Volume 416.97 Å 3
Surface Area 378.5 Å 2
HOMO Energy -6.71 ± 0.55 eV
LUMO Energy -2.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-hydroxy-5-methoxy-3-phenyl-phenyl)-1h-indole-5-carboxamidine
  • 2-(2-hydroxy-5-methoxy-3-phenyl-phenyl)-1h-indole-5-carboximidamide
  • 2-(2-hydroxy-5-methoxy-3-phenylphenyl)-1h-indole-5-carboxamidine
InChIKey MINVOLKUPZPDNX-UHFFFAOYSA-N
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