Geometry & MOs

Info

ID:	294171
PubChem CID:	117430639
Reduced:	FNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	271.085601
ΔH_f, kcal/mol:	-222.98
Dipole, Da:	4.96
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1C(CC(=O)O)N)OCCO2)F

DOS

IR

Vibrations