3-(2-Methoxyphenyl)-6-Methyl[1,2]Oxazolo[5,4-D]Pyrimidin-4(5H)-One

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Formula C13H12N3O3
IUPAC Name 3-(2-methoxyphenyl)-6-methyl-5h-isoxazolo[5,4-d]pyrimidin-7-ium-3a-id-4-one
Molecular Mass 258.253 g·mol−1
Heat of Formation -82.2 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 285.57 Å 3
Surface Area 266.75 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
InChIKey XCLPDGVIHJQQOR-UHFFFAOYSA-O
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