Geometry & MOs

Info

ID:	6972
PubChem CID:	70834
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-128.98
Dipole, Da:	6.62
IP(EA), eV:	-9.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexoxybenzoic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations