Figure 3.
Energy profile (PBE1PBE) for interconversion of stable 17 and 18 rotamers A and B via rotation around the C–N bond. Energy values (in kilocalories per mole) are referred to the more stable rotamer A.
Energy profile (PBE1PBE) for interconversion of stable 17 and 18 rotamers A and B via rotation around the C–N bond. Energy values (in kilocalories per mole) are referred to the more stable rotamer A.