Geometry & MOs

Info

ID:	210901
PubChem CID:	80869088
Reduced:	BrON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	18.51
Dipole, Da:	3.83
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-2-methylphenoxy)-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)OC2=CC(=CC=C2)Br

DOS

IR

Vibrations