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

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Properties Simple | Detailed

Formula C17H18ClN6O4+
IUPAC Name [(7r)-6-(5-chloro-2-pyridyl)-5-oxo-7h-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate
Molecular Mass 405.816 g·mol−1
Heat of Formation -114.1 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 432.6 Å 3
Surface Area 334.61 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
InChIKey IPTIKKTXLHVRKN-MRXNPFEDSA-N
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Elements H C N O Cl