4-((9,10-Didehydro-6-Methylergolin-8B-Yl)Methyl)-2,6-Piperazinedione

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Properties Simple | Detailed

Formula C20H22N4O2
IUPAC Name 4-[[(6ar,7s,9s)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-yl]methyl]piperazine-2,6-dione
Molecular Mass 350.414 g·mol−1
Heat of Formation -57.0 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 410.08 Å 3
Surface Area 351.76 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-piperazinedione, 4-(((8beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-
  • 4-((9,10-didehydro-6-methylergolin-8beta-yl)methyl)-2,6-piperazinedione
  • fce 23884
  • romergoline
CAS Number(s)
  • 107052-56-2
InChIKey RJCXNCSJGRUWRW-SJKOYZFVSA-N
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