Geometry & MOs

Info

ID:	292791
PubChem CID:	117358857
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	3.35
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[2-chloro-6-(dimethylamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CO)C1=C(C=CC2=C1OCCCO2)Cl

DOS

IR

Vibrations