3-{(E)-[(E)-(1-Hydroxy-4-Oxido-2(1H)-Quinoxalinylidene)Methyl]Diazenyl}-3-Oxopropanenitrile

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Properties Simple | Detailed

Formula C12H9N5O3
IUPAC Name (ne)-2-cyano-n-[(e)-(1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)methyl]imino-acetamide
Molecular Mass 271.232 g·mol−1
Heat of Formation 367.3 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 302.74 Å 3
Surface Area 282.53 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
InChIKey IJHSMJDMDSGQBT-PWSPGYJUSA-N
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