[(7R)-6-(5-Chloro-3H-Pyridin-1-Ium-3-Id-2-Yl)-5-Oxo-7H-Pyrrolo[3,4-B]Pyrazine-1,4-Diium-7-Yl] 4-Methyl-4-Oxido-Piperazin-4-Ium-1-Carboxylate

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Properties Simple | Detailed

Formula C17H19ClN6O4+
IUPAC Name [(7r)-6-(5-chloro-3h-pyridin-1-ium-3-id-2-yl)-5-oxo-7h-pyrrolo[3,4-b]pyrazine-1,4-diium-7-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate
Molecular Mass 406.824 g·mol−1
Heat of Formation -94.6 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 439.96 Å 3
Surface Area 354.92 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
InChIKey NEFMZUICYSWGIV-MRXNPFEDSA-N
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Elements H C N O Cl