Methylamine (CH3NH2)

Simplest primary amine; lone pair on nitrogen with staggered conformers along C–N bond. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Pyramidal at N
Polarity
Polar
Bond angle
~109°
Hybridisation
sp3
VSEPR
AX4 / AX3E
Bonds
C–N σ, N lone pair, C–H σ manifold
Molecular orbitals
14 valence MOs; compares with ammonia lone-pair hybrid directionality.
SMILES
NC

Electron density: spin-paired GPAW (PBE) on an isolated gas-phase geometry; molecular orbitals: restricted mean-field RHF with sto-3g in PySCF unless noted.

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