4-[1-(Cyclopropylmethyl)-1H-Benzimidazol-2-Yl]-1,2,5-Oxadiazol-3-Amine

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Properties Simple | Detailed

Formula C13H13N5O
IUPAC Name 4-[1-(cyclopropylmethyl)benzimidazol-1-ium-3a-ylium-2-yl]-1,2,5-oxadiazol-3-amine
Molecular Mass 255.275 g·mol−1
Heat of Formation 491.8 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 295.76 Å 3
Surface Area 269.42 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1-cyclopropylmethyl-1h-benzoimidazol-2-yl)-furazan-3-ylamine
  • 4-[1-(cyclopropylmethyl)-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
  • 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
  • [4-[1-(cyclopropylmethyl)benzimidazol-2-yl]furazan-3-yl]amine
  • oprea1_414747
  • oprea1_515685
InChIKey LLDVRUBUBPSOMY-UHFFFAOYSA-N
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