Geometry & MOs

Info

ID:	293755
PubChem CID:	117400500
Reduced:	ClO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	6.61
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-tert-butyl-5-chloro-2-hydroxyphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations