Geometry & MOs

Info

ID:	292813
PubChem CID:	117359255
Reduced:	FNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	243.090686
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	0.77
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(4-fluoro-2-hydroxy-3-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)F)C(=O)CCN)OC

DOS

IR

Vibrations