Geometry & MOs

Info

ID:	324212
PubChem CID:	126677148
Reduced:	OCl2N3H11C18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	266.050986
ΔH_f, kcal/mol:	83.94
Dipole, Da:	4.92
IP(EA), eV:	-9.54(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-fluoro-3-methoxyphenyl)-5-methylphenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=C(C(=C2)C#N)Cl)OCC3=NN=C(C=C3)Cl

DOS

IR

Vibrations