Geometry & MOs

Info

ID:	288425
PubChem CID:	104316512
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	244.050237
ΔH_f, kcal/mol:	-164.51
Dipole, Da:	5.91
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(3-hydroxybutoxy)benzoic acid

Drug info:

PubChemData

Smile

CC(CCOC1=CC=CC=C1C(=O)O)O

DOS

IR

Vibrations