Geometry & MOs

Info

ID:	293773
PubChem CID:	117401066
Reduced:	O2F3N3H8C10 (1)
Stoich.:	A2B3C3D8E10 (1)
Weight, g/mol:	259.049215
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	4.5
IP(EA), eV:	-9.4(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-fluoro-2-hydroxy-3-nitrophenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

C1=CC(=O)/C(=C\2/NOC(=N2)CN)/C(=C1)C(F)(F)F

DOS

IR

Vibrations