6-(4-Fluorophenyl)-5-(4-Methoxyphenyl)-7H-Pyrrolo[2,3-D]Pyrimidine-2,4-Diamine

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Formula C19H16FN5O
IUPAC Name 6-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-ium-4a-ide-2,4-diamine
Molecular Mass 349.362 g·mol−1
Heat of Formation 25.0 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 396.96 Å 3
Surface Area 345.76 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey MTCWKPIXTKCOED-UHFFFAOYSA-N
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