2-{5-[Ammonio(Imino)Methyl]-1H-Indol-2-Yl}-6-(Cyclopentyloxy)Phenolate

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Properties Simple | Detailed

Formula C20H22N3O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]indol-1-ium-3a-id-2-yl]-6-(cyclopentoxy)phenolate
Molecular Mass 336.408 g·mol−1
Heat of Formation 51.8 ± 16.7 kJ·mol−1
Dipole Moment 20.79 ± 1.08 D
Volume 395.98 Å 3
Surface Area 362.88 Å 2
HOMO Energy -6.46 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-cyclopentyloxy-2-hydroxy-phenyl)-1h-indole-5-carboximidamide
  • 2-[3-(cyclopentoxy)-2-hydroxy-phenyl]-1h-indole-5-carboxamidine
  • 2-[3-(cyclopentoxy)-2-hydroxyphenyl]-1h-indole-5-carboxamidine
InChIKey CFSQPEBVGUSQII-UHFFFAOYSA-N
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