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
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Synonyms
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- 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
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InChIKey |
CGSFZSTXVVJLIX-HNNXBMFYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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