Geometry & MOs

Info

ID:	48001
PubChem CID:	10536330
Reduced:	NCl2H3O3C6 (1)
Stoich.:	AB2C3D3E6 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	2.13
IP(EA), eV:	-9.95(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-2,3-dimethylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(NC(=C(C1=O)Cl)C(=O)O)Cl

DOS

IR

Vibrations