Geometry & MOs

Info

ID:	292909
PubChem CID:	117363738
Reduced:	ClO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	244.050237
ΔH_f, kcal/mol:	-168.56
Dipole, Da:	5.38
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-hydroxy-4-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1CCCC(=O)O)Cl)O

DOS

IR

Vibrations