(8S)-2-[(3R)-3-Methyl-4-Morpholinyl]-9-(3-Methyl-2-Oxobutyl)-8-(Trifluoromethyl)-6,7,8,9-Tetrahydro-4H-Pyrimido[1,2-A]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C18H25F3N4O3+
IUPAC Name (2s)-8-[(3r,4s)-3-methylmorpholin-4-yl]-1-(3-methyl-2-oxo-butyl)-2-(trifluoromethyl)-2,3,4,7-tetrahydropyrimido[1,2-a]pyrimidin-5-ium-7-id-6-one
Molecular Mass 402.411 g·mol−1
Heat of Formation -1118.1 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 453.9 Å 3
Surface Area 351.77 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey ITCIAOUZMPREOO-OCCSQVGLSA-N
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