Geometry & MOs

Info

ID:	59876
PubChem CID:	24902159
Reduced:	ClN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	268.017018
ΔH_f, kcal/mol:	48.9
Dipole, Da:	2.74
IP(EA), eV:	-9.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=CC(=NC=N2)Cl

DOS

IR

Vibrations