Geometry & MOs

Info

ID:	210942
PubChem CID:	80874477
Reduced:	OCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	297.043567
ΔH_f, kcal/mol:	0.78
Dipole, Da:	5.08
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)OC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations