Geometry & MOs

Info

ID:	293895
PubChem CID:	117410684
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-137.21
Dipole, Da:	2.83
IP(EA), eV:	-9.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopentyloxyphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=CC(=C1)C2CCOCC2

DOS

IR

Vibrations