Effective bond order for conformers 1A and 1B.
Bond | MBO at 6-31G** | LBO at 6-31++G** | ||
---|---|---|---|---|
1A | 1B | 1A | 1B | |
N4–H24 | — | 0.1867 | — | 0.0011 |
N7–H24 | 0.1497 | — | 0.0006 | — |
C15–O23 | 1.0574 | 1.0746 | 0.5981 | 0.5917 |
O23–H24 | 0.7432 | 0.7011 | 0.5103 | 0.4638 |
Bond | MBO at 6-31G** | LBO at 6-31++G** | ||
---|---|---|---|---|
1A | 1B | 1A | 1B | |
N4–H24 | — | 0.1867 | — | 0.0011 |
N7–H24 | 0.1497 | — | 0.0006 | — |
C15–O23 | 1.0574 | 1.0746 | 0.5981 | 0.5917 |
O23–H24 | 0.7432 | 0.7011 | 0.5103 | 0.4638 |