Highlights The novel compound (C 6 H 14 N)ClO 4 has been elaborated by slow evaporation. Optimized geometry and UV-Vis spectrum were computed using DFT method Vibration modes of the compound were identified by IR analysis. The intermolecular interactions were analyzed by HS, AIM and RDG. Dipole moment, polarizability and hyperpolarizability values were computed.
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