| Formula |
C17H17ClN6O4 |
| 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 |
404.808 g·mol−1 |
| Heat of Formation |
-113.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.89 ± 1.08 D |
| Volume |
433.92 Å 3 |
| Surface Area |
335.17 Å 2 |
| HOMO Energy |
-9.09 ± 0.55 eV |
| LUMO Energy |
1.25 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
IPTIKKTXLHVRKN-MRXNPFEDSA-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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