Aldisin

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Properties Simple | Detailed

Formula C8H8N2O2
IUPAC Name 1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
Molecular Mass 164.161 g·mol−1
Heat of Formation -215.7 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 183.47 Å 3
Surface Area 179.07 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-quinone
  • aldisine
  • pyrrolo(2,3-c)azepine-4,8(1h,5h)-dione, 6,7-dihydro-
CAS Number(s)
  • 72908-87-3
InChIKey AAPGLCCSVSGLFH-UHFFFAOYSA-N
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