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

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Formula C15H18N2O2
IUPAC Name (3s,8as)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3h-pyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 258.316 g·mol−1
Heat of Formation -253.5 ± 16.7 kJ·mol−1
Dipole Moment 1.13 ± 1.08 D
Volume 312.76 Å 3
Surface Area 277.01 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8as)-2-methyl-3-(phenylmethyl)-6,7,8,8a-tetrahydro-3h-pyrrolo[2,1-c]pyrazine-1,4-dione
  • (3s,8as)-3-(benzyl)-2-methyl-6,7,8,8a-tetrahydro-3h-pyrrolo[2,1-f]pyrazine-1,4-quinone
  • cyclo(l-pro-l-(n-me)phe)
  • cyclo(l-prolyl-l-n-methylphenylalanyl)
  • cyclo(pro-(n-me)phe)
  • cyclo(prolyl-n-methylphenylalanyl)
  • pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-2-methyl-3-(phenylmethyl)-, (3s-trans)-
CAS Number(s)
  • 37553-66-5
InChIKey VESAPQFPVCNWRR-STQMWFEESA-N
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