Phenylahistin

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22N4O2
IUPAC Name (3s,6z)-3-benzyl-6-[[5-(1,1-dimethylallyl)imidazol-1-ium-5-ylium-4-yl]methylene]piperazine-2,5-dione
Molecular Mass 350.414 g·mol−1
Heat of Formation -70.0 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 428.65 Å 3
Surface Area 370.35 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6z)-3-(benzyl)-6-[[5-(1,1-dimethylprop-2-enyl)-1h-imidazol-4-yl]methylene]piperazine-2,5-quinone
  • (3z,6s)-3-[[5-(1,1-dimethylprop-2-enyl)-1h-imidazol-4-yl]methylene]-6-(phenylmethyl)piperazine-2,5-dione
  • (3z,6s)-3-[[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene]-6-(phenylmethyl)piperazine-2,5-dione
InChIKey GWMHBVLPNWHWGW-CNYBTUBUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N