Geometry & MOs

Info

ID:	378127
PubChem CID:	134224200
Reduced:	ClOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	417.033477
ΔH_f, kcal/mol:	25.06
Dipole, Da:	1.86
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(2,6-dichlorophenoxy)ethenyl]anilino]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C)OC2=C(C=CC=C2Cl)C3CC3

DOS

IR

Vibrations