N-{[(8β)-6-Methylergolin-8-Yl]Methyl}Acetamide

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Properties Simple | Detailed

Formula C18H23N3O
IUPAC Name n-[[(6ar,7r,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-yl]methyl]acetamide
Molecular Mass 297.395 g·mol−1
Heat of Formation -52.3 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 373.0 Å 3
Surface Area 323.66 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-n-acetyl-9,10-dihydrolysergamine
  • acetergamine
  • n-(4,6,6a,7,8,9,10,10a-octahydro-7-methylindolo(4,3-f,g)chinolin-9-ylmethyl)acetamid
CAS Number(s)
  • 3031-48-9
InChIKey SGZVEWGAZGOWGP-XGWLTEMNSA-N
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