. 2017 Oct 20;2(10):7029–7038. doi: 10.1021/acsomega.7b00907

Table 5. Wiberg Bond Order Analyses on the N1–C2, C2–O3, and C2–C4 Bonds of Reactant R1 and Intermediate 2.

	N1–C2	C2–O3	C2–C4
R1		2.63 (1.21 Å)^a	0.95 (1.55 Å)
2	0.84 (1.64 Å)	2.22 (1.28 Å)	0.92 (1.57 Å)

The distance within parentheses refers to the bond length. All of the Wiberg bond orders were calculated at the M06-2X/6-31G(d, p)/IEF-PCM_chloroform level of theory.