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Caffeine is a naturally occurring chemical stimulant called trimethylxanthine. Its chemical formula is C8H10N4O2 (see Erowid: Caffeine Chemistry for an image of the molecular structure). It is a drug, and actually shares a number of traits with more notorious drugs such as amphetamines, cocaine and heroin.affeine is a naturally occurring chemical stimulant called trimethylxanthine. Its chemical formula is C8H10N4O2 (see Erowid: Caffeine Chemistry for an image of the molecular structure). It is a drug, and actually shares a number of traits with more notorious drugs such as amphetamines, cocaine and heroin.
A molecular formula lists the numbers of the atoms of a specific element in a compound. A structural formula is a picture of how the atoms in a specific molecule are connected â¦ , with each atom represented by its chemical symbol.For example, oxygen's molecular formula is O2.or example: H2O2 is the molecular formula of hydrogen peroxide. In one molecule of hydrogen peroxide there are two atoms of hydrogen and two atoms of oxygen. This can be thought of as a 2:2 ratio of H:O. Reduced this ratio yields 1:1, and so the empirical formula is HO.