Emedastine

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Properties Simple | Detailed

Formula C17H26N4O
IUPAC Name 1-(2-ethoxyethyl)-2-[(4s)-4-methyl-1,4-diazepan-1-yl]benzimidazol-1-ium-2-ylium
Molecular Mass 302.415 g·mol−1
Heat of Formation 31.5 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 390.31 Å 3
Surface Area 319.67 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
  • 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)benzimidazole
  • 1-methyl-4-(1-(2-ethoxyethyl)-1h-benzimidazo)-2-yl)(1,4)diazepane
  • 1h-benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-
InChIKey KBUZBQVCBVDWKX-UHFFFAOYSA-N
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