Afobazole

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Properties Simple | Detailed

Formula C15H21N3O2S
IUPAC Name 4-[2-(5-ethoxybenzimidazol-3-ium-2-ylium-2-yl)sulfanylethyl]morpholine
Molecular Mass 307.411 g·mol−1
Heat of Formation -123.9 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 364.84 Å 3
Surface Area 344.09 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 6-ethoxy-2-(2-morpholin-4-ylethylsulfanyl)-1h-benzimidazole
  • 6-ethoxy-2-(2-morpholinoethylsulfanyl)-1h-benzimidazole
  • 6-ethoxy-2-(2-morpholinoethylthio)-1h-benzimidazole
InChIKey WWNUCVSRRUDYPP-UHFFFAOYSA-N
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