Ph-Stevens, Reactant, 1,2 with retention "forbidden", RHF, Def2-SVP, water, G = -522.802526 - Henry Rzepa (Imperial College London, 2021)
Gaussian Calculation
Keywords: -522.802526; InChI=1S/C12H19N/c1-11(2)13(3,4)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3; AGIREAUBRBDKSA-UHFFFAOYSA-N