Geometry & MOs

Info

ID:	287130
PubChem CID:	104233741
Reduced:	FON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	228.079787
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	4.46
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-6-methoxyphenyl)-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=CN=C(N2)N

DOS

IR

Vibrations