Clathrodin

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Properties Simple | Detailed

Formula C11H13N5O
IUPAC Name n-[(e)-3-(2-aminoimidazol-3-ium-4-ylium-4-yl)allyl]pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 231.254 g·mol−1
Heat of Formation 139.7 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 274.69 Å 3
Surface Area 270.7 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carboxamide, n-(3-(2-amino-1h-imidazol-4-yl)-2-propenyl)-, (e)-
  • n-(3-(2-imino-2,3-dihydro-1h-imidazol-4-yl)-2-propenyl)-1h-pyrrole-2-carboxamide
  • n-[(e)-3-(2-amino-3h-imidazol-4-yl)prop-2-enyl]-1h-pyrrole-2-carboxamide
  • n-[3-(2-amino-3h-imidazol-4-yl)prop-2-enyl]-1h-pyrrole-2-carboxamide
CAS Number(s)
  • 135383-64-1
InChIKey PJKFCZYTTBYEHL-HNQUOIGGSA-N
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