{Trans-2-[4-(4-Fluorophenyl)-5-(4-Pyridinyl)-1H-Imidazol-2-Yl]-5-Methyl-1,3-Dioxan-5-Yl}(4-Morpholinyl)Methanone

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Properties Simple | Detailed

Formula C24H25FN4O4
IUPAC Name [2-[4-(4-fluorophenyl)-5-(2h-pyridin-2-ylium-4-yl)-1h-imidazol-3-ium-5-id-2-yl]-5-methyl-1,3-dioxan-5-yl]-morpholino-methanone
Molecular Mass 452.478 g·mol−1
Heat of Formation -505.2 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 517.03 Å 3
Surface Area 436.28 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey YEQUJOKCSZTBFS-HCGLCNNCSA-N
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