Geometry & MOs

Info

ID:	372334
PubChem CID:	131296346
Reduced:	Cl2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-83.14
Dipole, Da:	3.24
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)-6-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCl)CC(=O)CCl

DOS

IR

Vibrations