Geometry & MOs

Info

ID:	293654
PubChem CID:	117395224
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-152.36
Dipole, Da:	4.57
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-hydroxy-4,5-dimethylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C)CC(C)(C)C(=O)O)Cl

DOS

IR

Vibrations