Geometry & MOs

Info

ID:	138345
PubChem CID:	52352184
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	268.017018
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	6.14
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(4-chloro-3-methylphenoxy)-2-methylpyrimidine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCC2=NC(=CS2)C3=CC=CC=C3)O

DOS

IR

Vibrations