(5S)-6-(5-Chloro-2-Pyridinyl)-7-Oxo-6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyrazin-5-Yl 1-Piperazinecarboxylate

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Properties Simple | Detailed

Formula C16H15ClN6O3
IUPAC Name [(7s)-6-(5-chloro-2-pyridyl)-5-oxo-7h-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
Molecular Mass 374.782 g·mol−1
Heat of Formation -102.0 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 398.65 Å 3
Surface Area 318.86 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-piperazinecarboxylic acid [(7s)-6-(5-chloro-2-pyridyl)-5-oxo-7h-pyrrolo[3,4-b]pyrazin-7-yl] ester
  • [(7s)-6-(5-chloro-2-pyridyl)-5-oxo-7h-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
  • [(7s)-6-(5-chloropyridin-2-yl)-5-oxo-7h-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
  • piperazine-1-carboxylic acid [(7s)-6-(5-chloro-2-pyridyl)-5-keto-7h-pyrrolo[3,4-b]pyrazin-7-yl] ester
InChIKey CGSFZSTXVVJLIX-HNNXBMFYSA-N
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