Geometry & MOs

Info

ID:	293459
PubChem CID:	117390014
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	5.03
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)OC)C2(CCC2)C(=O)O

DOS

IR

Vibrations