Hymenialdisine

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Properties Simple | Detailed

Formula C11H10BrN5O2
IUPAC Name (4z)-4-(2-amino-5-oxo-3h-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Molecular Mass 324.133 g·mol−1
Heat of Formation -23.2 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 295.34 Å 3
Surface Area 271.02 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (4z)-4-(2-amino-5-keto-3h-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
  • 10z-hymenialdisine
  • 10z-hymenialdisine; 4-(2-amino-4-oxo-2-imidazolidin-5-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
  • b722657k109
  • k00010
  • k00223
  • pyrrolo(2,3-c)azepin-8(1h)-one, 4-(2-amino-1,5-dihydro-5-oxo-4h-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-
  • pyrrolo[2,3-c]azepin-8(1h)-one, 4-(2-amino-1,5-dihydro- 5-oxo-4h-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-, (z)-
  • sk&f-108752
CAS Number(s)
  • 95569-43-0
InChIKey ATBAETXFFCOZOY-DAXSKMNVSA-N
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Elements H C O Br N