(3S,6S)-3-Methyl-6-{[2-(2-Methyl-3-Buten-2-Yl)-5-(3-Methyl-2-Buten-1-Yl)-1H-Indol-3-Yl]Methyl}-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C24H31N3O2
IUPAC Name (3s,6s)-3-[[2-(1,1-dimethylallyl)-5-(3-methylbut-2-enyl)indol-1-ium-2-ylium-3-yl]methyl]-6-methyl-piperazine-2,5-dione
Molecular Mass 393.522 g·mol−1
Heat of Formation -258.6 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 513.44 Å 3
Surface Area 411.84 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5-(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methyl-piperazine-2,5-dione
  • (3s,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5-(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methyl-piperazine-2,5-quinone
  • (3s,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5-(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
  • (3s,6s)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]piperazine-2,5-dione
InChIKey WXGWEFVOPYZZTA-YWZLYKJASA-N
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