Geometry & MOs

Info

ID:	294570
PubChem CID:	117471111
Reduced:	ClOF3N3H9C11 (1)
Stoich.:	ABC3D3E9F11 (1)
Weight, g/mol:	291.067364
ΔH_f, kcal/mol:	-150.29
Dipole, Da:	5.84
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=C(C=C2Cl)C(F)(F)F)O)N

DOS

IR

Vibrations