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

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Properties Simple | Detailed

Formula C20H21ClN3O2
IUPAC Name 2-[5-[amino(azaniumylidene)methyl]-6-chloro-indol-1-ium-3a-id-2-yl]-6-(cyclopentoxy)phenolate
Molecular Mass 370.853 g·mol−1
Heat of Formation -1.0 ± 16.7 kJ·mol−1
Dipole Moment 19.94 ± 1.08 D
Volume 417.85 Å 3
Surface Area 377.04 Å 2
HOMO Energy -6.54 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-2-(3-cyclopentyloxy-2-hydroxy-phenyl)-1h-indole-5-carboximidamide
  • 6-chloro-2-[3-(cyclopentoxy)-2-hydroxy-phenyl]-1h-indole-5-carboxamidine
  • 6-chloro-2-[3-(cyclopentoxy)-2-hydroxyphenyl]-1h-indole-5-carboxamidine
InChIKey QXAURVOBXQBPAP-UHFFFAOYSA-N
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Elements H C N O Cl