Geometry & MOs

Info

ID:	13317
PubChem CID:	225476
Reduced:	O5C19H20 (1)
Stoich.:	A5B19C20 (1)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	-189.09
Dipole, Da:	6.43
IP(EA), eV:	-9.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethyl-4-propoxybenzoyl)oxybenzoic acid

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C(=C1)C)C(=O)OC2=CC=CC=C2C(=O)O)C

DOS

IR

Vibrations