Geometric and electronic structures of the title compounds, e.g., HOCH2CH2NHCH2CHn(NO2)3-n (n = 0, 1, 2), were calculated by the MNDO and CNDO/2 methods. The order of the C-X bond (X is the nitromethyl moiety) increases with increasing nucleophilicity of the acid component. The smallest bond orders are those of the C-NO2 bonds.

Key words: STABILITY, METHANE P, MANNICH BASE, ELECTRONIC STRUCTURE, NITRO HYDROCARBON, FRONTIER ORBITAL THEORY