1-{[(7S,9As)-2-(2-Pyrimidinyl)Octahydro-2H-Pyrido[1,2-A]Pyrazin-7-Yl]Methyl}-2,5-Pyrrolidinedione

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Formula C17H23N5O2
IUPAC Name 1-[[(5s,7r,9as)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
Molecular Mass 329.397 g·mol−1
Heat of Formation -199.9 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 394.34 Å 3
Surface Area 344.71 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(7r,9as)-2-(2-pyrimidinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,6-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
  • 1-[[(7r,9as)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,6-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione
  • 1-[[(7r,9as)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,6-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-quinone
InChIKey UXWBIYCPUVWKHP-KGLIPLIRSA-N
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