(3S,6S)-3,6-Dibenzyl-1,4-Dimethyl-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C20H22N2O2
IUPAC Name (3s,6s)-3,6-dibenzyl-1,4-dimethyl-piperazine-2,5-dione
Molecular Mass 322.401 g·mol−1
Heat of Formation -174.4 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 402.59 Å 3
Surface Area 343.46 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C2
Synonyms
  • (3s,6s)-1,4-dimethyl-3,6-bis(phenylmethyl)piperazine-2,5-dione
  • (3s,6s)-3,6-bis(benzyl)-1,4-dimethyl-piperazine-2,5-quinone
  • 2,5-piperazinedione, 1,4-dimethyl-3,6-bis(phenylmethyl)-, (3s-cis)-
  • c(nme-phe)
  • cyclobis(n-methylphenylalanine)
  • cyclobis-n-methyl-l-phenylalanine
CAS Number(s)
  • 61125-52-8
InChIKey KNKXKVUFAHAVOL-ROUUACIJSA-N
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