(2E)-3-(1H-Imidazol-5-Yl)-N-[2-(1H-Imidazol-5-Yl)Ethyl]Acrylamide

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Properties Simple | Detailed

Formula C11H13N5O
IUPAC Name (e)-n-[2-(4h-imidazole-4,5-diylium-5-yl)ethyl]-3-imidazol-3-ium-4-ylium-4-yl-prop-2-enamide
Molecular Mass 231.254 g·mol−1
Heat of Formation 130.3 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 282.36 Å 3
Surface Area 266.42 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3h-imidazol-4-yl)-n-[2-(3h-imidazol-4-yl)ethyl]acrylamide
  • (e)-3-(3h-imidazol-4-yl)-n-[2-(3h-imidazol-4-yl)ethyl]prop-2-enamide
  • 2-propenamide, 3-(1h-imidazol-4-yl)-n-(2-(1h-imidazol-4-yl)ethyl)-
  • n-urocanylhistamine
CAS Number(s)
  • 53215-86-4
InChIKey RYFPSMUWVMCWSD-OWOJBTEDSA-N
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