2-{[4-(5-Ethyl-4-Pyrimidinyl)-1-Piperazinyl]Methyl}-5-(Trifluoromethyl)-1H-Benzimidazole

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Formula C19H23F3N6
IUPAC Name 2-[[4-(5-ethylpyrimidine-1,3-diium-5-id-4-yl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-1h-benzimidazol-3-ium-7a-ide
Molecular Mass 392.421 g·mol−1
Heat of Formation -306.9 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 444.5 Å 3
Surface Area 384.3 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey FBLPQCAQRNSVHB-UHFFFAOYSA-N
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Elements H C N F