Geometry & MOs

Info

ID:	294262
PubChem CID:	117446184
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	2.24
IP(EA), eV:	-9.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC=O)C1=C(C(=CC=C1)OC2CCCOC2)OC

DOS

IR

Vibrations