2,6-Diamino-3,4-Dimethylisochromeno[7,8-D]Imidazol-7(3H)-One

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Formula C12H14N4O2+
IUPAC Name 2,6-diamino-3,4-dimethyl-pyrano[3,4-e]benzimidazol-1-ium-3a-id-7-one
Molecular Mass 246.265 g·mol−1
Heat of Formation -25.2 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 272.39 Å 3
Surface Area 251.81 Å 2
HOMO Energy -7.78 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey IYPSSTXPOKBOPU-UHFFFAOYSA-O
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