(3R,7S,8Ar)-3-Benzyl-7-Fluorohexahydropyrrolo[1,2-A]Pyrazine-1,4-Dione

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Formula C14H15FN2O2
IUPAC Name (3r,7s,8ar)-3-benzyl-7-fluoro-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 262.280 g·mol−1
Heat of Formation -447.5 ± 16.7 kJ·mol−1
Dipole Moment 1.21 ± 1.08 D
Volume 300.88 Å 3
Surface Area 274.19 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,7s,8ar)-3-(benzyl)-7-fluoro-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
  • (3r,7s,8ar)-7-fluoro-3-(phenylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • c(phe-fpro)
  • cyclo(phenylalanyl-4-fluoro-prolyl)
  • cylco(phe-4-f-pro)
CAS Number(s)
  • 131176-01-7
InChIKey GBONPFZXBBXCLT-QJPTWQEYSA-N
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