(2-Cyanoacetyl)-[(E)-[(1S)-1-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Quinoxaline-2,3,4A,5,6,7,8,8A-Octaid-2-Yl]Methyleneamino]Azanide

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Formula C12H20N5O3++
IUPAC Name (2-cyanoacetyl)-[(e)-[(1s)-1-hydroxy-4-oxido-5,6,7,8-tetrahydro-3h-quinoxaline-2,3,4a,5,6,7,8,8a-octaid-2-yl]methyleneamino]azanide
Molecular Mass 282.319 g·mol−1
Heat of Formation 351.8 ± 16.7 kJ·mol−1
Dipole Moment 11.36 ± 1.08 D
Volume 298.37 Å 3
Surface Area 288.14 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -2.25 ± eV
Point Group Symmetry C1
InChIKey LGYCBZMPYXKDJI-PWSPGYJUSA-O
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