(8β)-N-(4-Hydroxybutyl)-1,6-Dimethyl-9,10-Didehydroergoline-8-Carboxamide

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Properties Simple | Detailed

Formula C21H27N3O2
IUPAC Name (6ar,9r)-n-(4-hydroxybutyl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular Mass 353.458 g·mol−1
Heat of Formation -163.1 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 439.4 Å 3
Surface Area 390.79 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • ergoline-8-carboxamide, 9,10-didehydro-n-(4-hydroxybutyl)-1,6-dimethyl-, (8beta)-
  • uml
CAS Number(s)
  • 4238-82-8
InChIKey DTLDCNXIJXGHKW-DNVCBOLYSA-N
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