Aurantiamine

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Properties Simple | Detailed

Formula C16H22N4O2
IUPAC Name (3z,6s)-3-[[5-(1,1-dimethylallyl)imidazol-1-ium-5-ylium-4-yl]methylene]-6-isopropyl-piperazine-2,5-dione
Molecular Mass 302.371 g·mol−1
Heat of Formation -221.6 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 376.75 Å 3
Surface Area 326.74 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,6s)-3-[[5-(1,1-dimethylprop-2-enyl)-1h-imidazol-4-yl]methylene]-6-isopropyl-piperazine-2,5-dione
  • (3z,6s)-3-[[5-(1,1-dimethylprop-2-enyl)-1h-imidazol-4-yl]methylene]-6-isopropyl-piperazine-2,5-quinone
  • (3z,6s)-3-[[5-(1,1-dimethylprop-2-enyl)-1h-imidazol-4-yl]methylene]-6-isopropylpiperazine-2,5-dione
  • (3z,6s)-3-[[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene]-6-propan-2-yl-piperazine-2,5-dione
  • (3z,6s)-3-[[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
InChIKey RSGRSUVVCYUKLM-RDQDRAATSA-N
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