Geometry & MOs

Info

ID:	209910
PubChem CID:	80739219
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	-20.04
Dipole, Da:	2.02
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations