Compounds | HOF [kcal/mol] | Distance [Å] of N-CH2 | Distance [Å] of N∙∙∙Br | Bond Angle [˚] of N-CH2-CH2 | Dihedral angle [˚] of N-CH2-CH2-CH2-CH2 |
E4 | ?72.9500 | 1.491 | ? | 109.692 109.655 109.808 | ?176.477 ?175.288 ?174.425 |
F14 | ?199.0620 | 1.536 |
3.980 | 114.606 113.845 114.640 113.691 | ?174.870 ?174.879 173.874 178.628 |
G14 | ?111.6305 | 1.536 | 3.986 | 114.283 114.033 114.733 114.034 | ?168.997 ?158.903 176.179 176.925 |