1-{[(8β)-6-Methylergolin-8-Yl]Methyl}-2,4-Imidazolidinedione

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Properties Simple | Detailed

Formula C19H22N4O2
IUPAC Name 1-[[(6ar,7r,9r,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-yl]methyl]imidazolidine-2,4-dione
Molecular Mass 338.404 g·mol−1
Heat of Formation -157.1 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 400.87 Å 3
Surface Area 336.5 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(6-methylergoline-8-yl)hydantoin
  • 2,4-imidazolidinedione, 1-(((8beta)-6-methylergolin-8-yl)methyl)-
  • fce 22716
  • fce-22716
CAS Number(s)
  • 95688-34-9
InChIKey VXIHQTMCLKWCBN-DJSGYFEHSA-N
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