Geometry & MOs

Info

ID:	293896
PubChem CID:	117410686
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-138.48
Dipole, Da:	4.17
IP(EA), eV:	-8.94(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,3-dimethylcyclohexyl)phenyl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC(=CC=C1)OC2CCCC2

DOS

IR

Vibrations