Geometry & MOs

Info

ID:	59882
PubChem CID:	24902190
Reduced:	ClON2F3H6C11 (1)
Stoich.:	ABC2D3E6F11 (1)
Weight, g/mol:	258.01716
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	3.01
IP(EA), eV:	-10.06(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[3-(trifluoromethyl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations