(3S,8As)-3-Benzylhexahydropyrrolo[1,2-A]Pyrazine-1,4-Dione

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Formula C14H16N2O2
IUPAC Name (3s,8as)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 244.289 g·mol−1
Heat of Formation -262.3 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 292.85 Å 3
Surface Area 267.94 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8as)-3-(benzyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
  • (3s,8as)-3-(phenylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • (3s,8as)-3-benzyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
  • 3-benzyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
  • asn 15417337
  • cyclo(l-phe-l-pro)
  • diketopiperazine cyclo(d-pro-d-phe)
  • kuc100417n
  • pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3s,8as)-
  • rel-(3r,8ar)-3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CAS Number(s)
  • 3705-26-8
InChIKey QZBUWPVZSXDWSB-RYUDHWBXSA-N
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