Geometry & MOs

Info

ID:	12963
PubChem CID:	219189
Reduced:	Cl2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	288.032
ΔH_f, kcal/mol:	-128.48
Dipole, Da:	2.93
IP(EA), eV:	-9.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]hexanoic acid

Drug info:

PubChemData

Smile

CCCCC(=CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)O

DOS

IR

Vibrations