Caffeine (C8H10N4O2) does not have a single electronegativity value, as it is a molecule composed of different atoms; however, the electronegativities of its constituent atoms (C, H, N, O) are approximately 2.5, 2.1, 3.0, and 3.5, respectively. The molecule contains functional groups such as amine (–NH) and carbonyl (C=O). The bond angles in caffeine are roughly around 120° for sp² hybridized carbons and 109.5° for sp³ hybridized carbons. Caffeine primarily exhibits hydrogen bonding and dipole-dipole interactions as intermolecular forces, along with covalent bonds between atoms, while ionic attractions are not significant within the molecule itself.
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