N-[(8α)-2-Chloro-6-Methylergolin-8-Yl]-2,2-Dimethylpropanamide

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Properties Simple | Detailed

Formula C20H26ClN3O
IUPAC Name n-[(6ar,7r,9s,10ar)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-yl]-2,2-dimethyl-propanamide
Molecular Mass 359.893 g·mol−1
Heat of Formation -139.4 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 435.15 Å 3
Surface Area 363.44 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • n-((8a)-2-chloro-6-methylergolin-8-yl)-2,2-dimethyl-propanamide mesylate
  • n-(2-chloro-6-methylergoline-8-yl)-2,2-dimethylpropanamide
  • pdsp1_000782
  • pdsp2_000770
  • sdz 208-912
  • sdz hdc 912
  • sdz-208-912
CAS Number(s)
  • 101000-49-1
  • 120478-65-1
InChIKey QXOFQMUQMXGKGQ-NORZTCDRSA-N
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Elements H C N O Cl