Geometry & MOs

Info

ID:	9975
PubChem CID:	95676
Reduced:	ClO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	184.029107
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	4.98
IP(EA), eV:	-9.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)O)Cl

DOS

IR

Vibrations