Geometry & MOs

Info

ID:	378216
PubChem CID:	134224292
Reduced:	ClFOH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	411.042899
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	2.68
IP(EA), eV:	-9.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2,6-dichlorophenyl)-3-oxoprop-1-en-2-yl]anilino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C(=C)OC2=C(C=CC=C2Cl)C3CC3

DOS

IR

Vibrations