4-[(8β)-9,10-Didehydroergolin-8-Ylmethyl]-2,6-Piperazinedione

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Properties Simple | Detailed

Formula C19H20N4O2
IUPAC Name 4-[[(6ar,9r)-6a,7,8,9-tetrahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-yl]methyl]piperazine-2,6-dione
Molecular Mass 336.388 g·mol−1
Heat of Formation -69.7 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 390.88 Å 3
Surface Area 342.14 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-piperazinedione, 4-(((8beta)-9,10-didehydroergolin-8-yl)methyl)-
  • 4-(((8beta)-9,10-didehydroergolin-8-yl)methyl)-2,6-piperazinedione
  • 4-(9,10-didehydroergolin-8-yl)methylpiperazine-2,6-dione
  • 6-nor-fce-23884
  • fce 26506
  • fce-26506
CAS Number(s)
  • 131816-89-2
InChIKey SOSJSMNIBOSKML-BDJLRTHQSA-N
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