Geometry & MOs

Info

ID:	292458
PubChem CID:	115001453
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	3.4
IP(EA), eV:	-8.77(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-propylphenoxy)propanoic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC(C)CC(=O)O

DOS

IR

Vibrations