I like WA, but most of the quantitative info is what I'd call "highschool stuff." It is improving all the time, and some of it's math capabilities can reach in

I like WA, but most of the quantitative info is what I'd call "highschool stuff." It is improving all the time, and some of it's math capabilities can reach into advanced undergraduate territory, though. https://www.wolframalpha.com/input/?i=IR+spectrum+of+toluene https://www.wolframalpha.com/input/?i=IR+spectrum+of+toluene http://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Units=SI&Type=IR-SPEC&Index=19#IR-SPEC http://webbook.nist.gov/cgi/cbook.cgi?ID=C108883&Units=SI&Ty...