3,3-Difluoro-8-[4-Fluoro-3-(3-Pyridinyl)Phenyl]-8-(4-Methoxy-3-Methylphenyl)-2,3,4,8-Tetrahydroimidazo[1,5-A]Pyrimidin-6-Amine

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Properties Simple | Detailed

Formula C25H22F3N5O
IUPAC Name (8r)-3,3-difluoro-8-[4-fluoro-3-(3-pyridyl)phenyl]-8-(4-methoxy-3-methyl-phenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
Molecular Mass 465.470 g·mol−1
Heat of Formation -280.7 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 518.51 Å 3
Surface Area 445.77 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey YGQLOGGNUHAJMB-RUZDIDTESA-N
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