(7As)-Tetrahydro-1H-Pyrrolo[1,2-C]Imidazole-1,3(2H)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C6H8N2O2
IUPAC Name (7as)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
Molecular Mass 140.140 g·mol−1
Heat of Formation -339.7 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 157.62 Å 3
Surface Area 159.31 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • (7as)-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione
  • (7as)-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-quinone
  • 1h-pyrrolo(1,2-c)imidazole-1,3(2h)-dione, tetrahydro-, (s)-
  • q(no)-pro-nh2
CAS Number(s)
  • 40856-87-9
InChIKey CLHGAFMJSNFVRM-BYPYZUCNSA-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