Geometry & MOs

Info

ID:	200755
PubChem CID:	79438941
Reduced:	ON2Cl3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	339.954866
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	0.15
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-(2-chlorophenyl)-2-(2,2,2-trifluoroethyl)pyrimidine

Drug info:

PubChemData

Smile

COCCCC1=NC(=C(C(=N1)Cl)C2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations