Geometry & MOs

Info

ID:	126100
PubChem CID:	50951538
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	280.143645
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	6.77
IP(EA), eV:	-9.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-2-ylmethyl)-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CN(CC1=CC=CC=C1)C(=O)C2=CC=CC(=C2)C#N)CO

DOS

IR

Vibrations