1,1-Diethyl-3-[(8β)-6-Methyl-9,10-Didehydroergolin-8-Yl]Urea

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Properties Simple | Detailed

Formula C20H26N4O
IUPAC Name 3-[(6ar,7r,9r)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-yl]-1,1-diethyl-urea
Molecular Mass 338.447 g·mol−1
Heat of Formation 25.9 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 421.27 Å 3
Surface Area 367.41 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • biomol-nt_000024
  • bpbio1_001092
InChIKey BKRGVLQUQGGVSM-RDTXWAMCSA-N
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