Clathridine

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Properties Simple | Detailed

Formula C16H15N5O4
IUPAC Name 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-1-ium-2-ylium-2-yl]amino]-3-methyl-imidazole-2,4-dione
Molecular Mass 341.321 g·mol−1
Heat of Formation -191.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 378.09 Å 3
Surface Area 346.52 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-2,5-dione, 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1h-imidazol-2-yl]amino]-1-methyl-
  • 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-imidazolyl]amino]-3-methylimidazole-2,4-dione
  • 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]amino]-3-methyl-imidazole-2,4-dione
  • 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]amino]-3-methyl-imidazole-2,4-quinone
InChIKey DNQGARKMDHLOGM-UHFFFAOYSA-N
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