Geometry & MOs

Info

ID:	292814
PubChem CID:	117359277
Reduced:	FNO4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	243.090686
ΔH_f, kcal/mol:	-192.13
Dipole, Da:	5.95
IP(EA), eV:	-8.41(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(5-fluoro-2-hydroxy-4-methoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1O)C(CCC(=O)O)N)F

DOS

IR

Vibrations