Geometry & MOs

Info

ID:	294275
PubChem CID:	117448604
Reduced:	ClN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	7.96
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=C(C3=C2OCO3)C=O)Cl)N

DOS

IR

Vibrations