Geometry & MOs

Info

ID:	261246
PubChem CID:	103224092
Reduced:	FNO6C10H10 (1)
Stoich.:	ABC6D10E10 (1)
Weight, g/mol:	291.97465
ΔH_f, kcal/mol:	-190.42
Dipole, Da:	6.29
IP(EA), eV:	-10.22(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenoxy)-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)OC1=C(C=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations