4-(1,3-Benzodioxol-5-Yloxy)-2-[4-(1H-Imidazol-1-Yl)Phenoxy]Pyrimidine

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Formula C20H14N4O4
IUPAC Name 4-(1,3-benzodioxol-5-yloxy)-2-[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenoxy]pyrimidine
Molecular Mass 374.350 g·mol−1
Heat of Formation -15.5 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 419.08 Å 3
Surface Area 323.18 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
InChIKey XPXGYINSBORUMM-UHFFFAOYSA-N
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