Bms-564,929

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Formula C14H12ClN3O3
IUPAC Name 4-[(7r,7as)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methyl-benzonitrile
Molecular Mass 305.716 g·mol−1
Heat of Formation -326.0 ± 16.7 kJ·mol−1
Dipole Moment 8.69 ± 1.08 D
Volume 324.9 Å 3
Surface Area 284.87 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(7r,7as)-7-hydroxy-1,3-diketo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methyl-benzonitrile
  • 4-[(7r,7as)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methyl-benzonitrile
  • 4-[(7r,7as)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile
  • 8nh
InChIKey KEJORAMIZFOODM-PWSUYJOCSA-N
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Elements H C N O Cl