(3S,8As)-3-(1H-Imidazol-4-Ylmethyl)Hexahydropyrrolo[1,2-A]Pyrazine-1,4-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N4O2
IUPAC Name (3s,8as)-3-(1h-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 234.254 g·mol−1
Heat of Formation -218.2 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 270.2 Å 3
Surface Area 249.6 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8ar)-3-(1h-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
  • (3s,8as)-3-(3h-imidazol-4-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • (3s,8as)-3-(3h-imidazol-4-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
  • cyclo-(l-histidine-l-proline) inhibitor
InChIKey NAKUGCPAQTUSBE-IUCAKERBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N