Geometry & MOs

Info

ID:	293774
PubChem CID:	117401074
Reduced:	FNO6C10H10 (1)
Stoich.:	ABC6D10E10 (1)
Weight, g/mol:	259.049215
ΔH_f, kcal/mol:	-205.78
Dipole, Da:	7.37
IP(EA), eV:	-9.92(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C(=CC(=C1)F)[N+](=O)[O-])O)O

DOS

IR

Vibrations