1-(4-{3-[4-(1H-Benzimidazol-2-Ylcarbonyl)Phenoxy]-2-Pyrazinyl}-1-Piperidinyl)Ethanone

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Formula C25H23N5O3
IUPAC Name 1-[4-[3-[4-(benzimidazol-1-ium-2-ylium-2-carbonyl)phenoxy]pyrazin-2-yl]-1-piperidyl]ethanone
Molecular Mass 441.482 g·mol−1
Heat of Formation -9.6 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 509.15 Å 3
Surface Area 449.26 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
InChIKey ZNPDAYJZIRPRFQ-UHFFFAOYSA-N
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