You can calculate using quantum chemical packages, i.e mopac, gamess...

GAR2PED

This might be helpful...http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi

thanks Gloria! useful link!

Thank you all for your valuable suggestion.

You can try with ACD labs software or you can predict it by calculation using Gaussian for exemple.

Several softwares could b used such as Gaussian, Mopac, Gammes, ....

Can you use the Gaussian 09 package, firts you do the optimization of the structure and then the frequency calculations.

With GaussView you can see de IR spectra.

For the prediction of IR frequency, IR frequency tables are available in any std, book of on computer.. While scanning sample for IR each peak will be labeled. Peak position & table values will help you for identification. of functional group.

Thanks a lot Gloria madam.