2,5-Diamino-2,4,6-Cycloheptatrien-1-One

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Formula C7H8N2O
IUPAC Name 2,5-diaminocyclohepta-2,4,6-trien-1-one
Molecular Mass 136.151 g·mol−1
Heat of Formation 37.1 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 164.47 Å 3
Surface Area 166.57 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 2,5-diamino-
  • 2,5-diamino-1-cyclohepta-2,4,6-trienone
  • 2,5-diaminotropone
CAS Number(s)
  • 36039-40-4
InChIKey SNFONUQYPBCAIH-UHFFFAOYSA-N
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