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Hybrid skeletal structure of the caffeine molecule
Space-filling model of the caffeine molecule
IUPAC name
Other names 1,3,7-trimethylxanthine, trimethylxanthine,
theine, methyltheobromine
CAS number [58-08-2]
RTECS number EV6475000
ChemSpider ID 2424
3D structure


Molecular shape mostly planar
Except where noted otherwise, data are given for
materials in their standard state
(at 25 Â°C, 100 kPa)

Infobox references

This a duplicate of (part of) the ChemBox template used at Wikipedia, with an added item, '3D structure' inside the 'Structure' section. The link is inserted using standard syntax of the ChemBox template, that includes a parameter with the filename (that's why the link text is the same as the filename, just simplifying things). The link opens a small, resizable browser window (a pop-up, but only by user's action, so it should not be blocked by pop-up-blocker software) with the JmolApplet that covers the full window and resizes with it.