Extending and changing your molecule

Before making some changes, let's reoptimize. We first select the 'Main Options' panel so the coordinates will not be visible during the pre-optimization. Otherwise this may slow down the pre-optimization.

Select the 'Main Options' panel
Click on the pre-optimize button

Let's try to change the CH2OH group in a COOH group.

Thus, we need to:

• remove one hydrogen
• change one hydrogen into an oxygen
• change a single bond into a double bond

After this, we will revert to the ethanol molecule.