Geometry & MOs

Info

ID:	59881
PubChem CID:	24902188
Reduced:	ClN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	274.012075
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	3.76
IP(EA), eV:	-10.19(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations