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

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Formula C17H19ClN6
IUPAC Name 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-methyl-benzimidazol-1-ium-2-ylium
Molecular Mass 342.826 g·mol−1
Heat of Formation 383.3 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 396.88 Å 3
Surface Area 352.37 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey IXXZGBOSQDVMTC-UHFFFAOYSA-N
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Elements H C N Cl