Geometry & MOs

Info

ID:	293756
PubChem CID:	117400537
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-180.28
Dipole, Da:	3.66
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-5-methoxy-4-propan-2-ylphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C(=O)O)O)Cl

DOS

IR

Vibrations