Geometry & MOs

Info

ID:	293671
PubChem CID:	117395773
Reduced:	FNO5C11H12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	257.106336
ΔH_f, kcal/mol:	-242.28
Dipole, Da:	2.83
IP(EA), eV:	-9.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC(=C1)C(CC(=O)O)N)F)O

DOS

IR

Vibrations