Geometry & MOs

Info

ID:	261494
PubChem CID:	103236413
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	232.041483
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	3.71
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-chloro-2-fluoroanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N/C=C/C(=O)OC)Cl

DOS

IR

Vibrations