(4Z)-4-(2-Amino-5-Oxo-3,5-Dihydro-4H-Imidazol-4-Ylidene)-2,3-Dichloro-4,5,6,7-Tetrahydropyrrolo[2,3-C]Azepin-8(1H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H9Cl2N5O2
IUPAC Name (4z)-4-(2-amino-4-oxo-1h-imidazol-5-ylidene)-2,3-dichloro-6,7-dihydro-5h-pyrrolo[2,3-c]azepin-8-one
Molecular Mass 314.127 g·mol−1
Heat of Formation -91.0 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 312.97 Å 3
Surface Area 279.47 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4z)-4-(2-amino-5-keto-3h-imidazol-4-ylidene)-2,3-dichloro-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
  • (4z)-4-(2-amino-5-oxo-3h-imidazol-4-ylidene)-2,3-dichloro-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
  • hym
InChIKey WMIYIBXBFBOKCT-UTCJRWHESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N