4-[3-Fluoro-5-(4-Morpholinyl)Phenyl]-N-{4-[3-(4-Morpholinyl)-1H-1,2,4-Triazol-1-Yl]Phenyl}-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C26H28FN8O2+
IUPAC Name 4-(3-fluoro-5-morpholino-phenyl)-n-[4-(3-morpholino-2-aza-1-azonia-4-azanidacyclopenta-2,5-dien-1-yl)phenyl]pyrimidin-2-imine
Molecular Mass 503.551 g·mol−1
Heat of Formation 172.8 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 583.23 Å 3
Surface Area 478.47 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
InChIKey AHMHIFXJPSHHPH-UHFFFAOYSA-N
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