7-(5-Hydroxy-2-Methylphenyl)-8-(2-Methoxyphenyl)-1-Methyl-1H-Imidazo[2,1-F]Purine-2,4(3H,8H)-Dione

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Properties Simple | Detailed

Formula C22H19N5O4
IUPAC Name 7-(5-hydroxy-2-methyl-phenyl)-6-(2-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione
Molecular Mass 417.417 g·mol−1
Heat of Formation -199.9 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 468.9 Å 3
Surface Area 386.95 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey JTWMOWRMSZZHDR-UHFFFAOYSA-N
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