3-{2-[4-(4-Fluorobenzoyl)-1-Oxido-1-Piperidinyl]Ethyl}-2,7-Dimethyl-4H-Pyrido[1,2-A]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C24H26FN3O3
IUPAC Name 3-[[(2r)-2-[3-(4-fluorobenzoyl)penta-1,4-diynyl]oxaziridin-2-ium-3-ylidene]methylene]-2-methyl-7-methylene-6h-pyrido[1,2-a]pyrimidin-1-ium-4-one
Molecular Mass 423.480 g·mol−1
Heat of Formation 3441.6 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 453.51 Å 3
Surface Area 422.82 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -2.83 ± eV
Point Group Symmetry C1
InChIKey PFYDQUZGBBIYED-GCSLNTQSSA-N
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