Diketopiperazine

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Properties Simple | Detailed

Formula C4H6N2O2
IUPAC Name piperazine-2,3-dione
Molecular Mass 114.103 g·mol−1
Heat of Formation -296.0 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 126.96 Å 3
Surface Area 136.0 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C2
Synonyms
  • 2,3-diketopiperazine
  • 2,3-piperazinedione
  • 2,3-piperazinedione (8ci)(9ci)
  • piperazine-2,3-quinone
CAS Number(s)
  • 13092-86-9
  • 29990-68-9
InChIKey JTHRRMFZHSDGNJ-UHFFFAOYSA-N
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