N-[2-(2-Methyl-5-Nitro-1H-Imidazol-1-Yl)Ethyl]-4-(2-Nitro-1H-Imidazol-1-Yl)Butanamidato

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Properties Simple | Detailed

Formula C13H17N7O5
IUPAC Name n-[2-(2-methyl-5-nitro-imidazol-1-ium-2-ylium-1-yl)ethyl]-4-(2-nitroimidazol-1-ium-2-ylium-1-yl)butanamide
Molecular Mass 351.318 g·mol−1
Heat of Formation 30.3 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 401.32 Å 3
Surface Area 340.69 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-1-butanamide, n-(2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)-2-nitro-
  • n-(2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl)-2-nitro-1h-imidazole-1-butanamide
  • n-(2-(2-methyl-5-nitro-1h-imidazolyl)ethyl)-4-(2-nitro-1h-imidazolyl)butanamide
  • n-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-(2-nitro-1-imidazolyl)butanamide
  • n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-4-(2-nitro-1h-imidazol-1-yl)butanamide
  • n-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butanamide
  • n-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butyramide
  • sn 24699
  • sn-24699
CAS Number(s)
  • 154094-91-4
InChIKey KGGFDKXOKZXDQY-UHFFFAOYSA-N
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