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

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Properties Simple | Detailed

Formula C19H21N3O2
IUPAC Name (3z,6s)-3-[[2-(1,1-dimethylallyl)indol-1-ium-2-ylium-3-yl]methylene]-6-methyl-piperazine-2,5-dione
Molecular Mass 323.389 g·mol−1
Heat of Formation -137.7 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 402.13 Å 3
Surface Area 331.11 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene]piperazine-2,5-dione
  • (3z,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-1h-indol-3-yl]methylene]-6-methyl-piperazine-2,5-dione
  • (3z,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-1h-indol-3-yl]methylene]-6-methyl-piperazine-2,5-quinone
  • (3z,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-1h-indol-3-yl]methylene]-6-methylpiperazine-2,5-dione
InChIKey MYRPIYZIAHOECW-SAIXKJTDSA-N
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