Geometry & MOs

Info

ID:	293451
PubChem CID:	117389736
Reduced:	ClO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-123.58
Dipole, Da:	8.52
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-hydroxy-3-methylphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

C1CC12COC3=C(C=C(C(=C3)C(=O)O)Cl)OC2

DOS

IR

Vibrations