(2Z)-7-(1-Azepanylmethyl)-6-Hydroxy-2-(1H-Indol-3-Ylmethylene)-1-Benzofuran-3(2H)-One

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Properties Simple | Detailed

Formula C24H24N2O3
IUPAC Name (2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(indol-1-ium-3-ylmethylene)benzofuran-3-one
Molecular Mass 388.459 g·mol−1
Heat of Formation -182.4 ± 16.7 kJ·mol−1
Dipole Moment 7.81 ± 1.08 D
Volume 462.07 Å 3
Surface Area 395.97 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-7-(1-azepanylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylene)-3-benzofuranone
  • (2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylene)benzofuran-3-one
  • (2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3-one
InChIKey IARYZBOIUVHJGF-XKZIYDEJSA-N
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