Geometry & MOs

Info

ID:	293653
PubChem CID:	117395212
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	4.98
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-3-hydroxy-2,4-dimethylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1Cl)C2(CC2)O)OC)OC

DOS

IR

Vibrations