Isoplysin A

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Properties Simple | Detailed

Formula C14H14N4O
IUPAC Name (5e)-5-(indol-1-ium-3-ylmethylene)-1-methyl-2-(methylamino)imidazol-4-one
Molecular Mass 254.287 g·mol−1
Heat of Formation 214.3 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 298.13 Å 3
Surface Area 279.89 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-5-(1h-indol-3-ylmethylene)-1-methyl-2-methylamino-4-imidazolone
  • (5e)-5-(1h-indol-3-ylmethylene)-1-methyl-2-methylamino-imidazol-4-one
  • (5e)-5-(1h-indol-3-ylmethylidene)-1-methyl-2-methylamino-imidazol-4-one
  • (5e)-5-(1h-indol-3-ylmethylidene)-1-methyl-2-methylaminoimidazol-4-one
  • 4h-imidazol-4-one, 1,5-dihydro-5-(1h-indol-3-ylmethylene)-1-methyl-2-(methylamino)-, (e)-
CAS Number(s)
  • 158761-04-7
InChIKey UVIKYYAHZODERH-KPKJPENVSA-N
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