Geometry & MOs

Info

ID:	284464
PubChem CID:	104047571
Reduced:	ClNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	291.054301
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	8.48
IP(EA), eV:	-9.44(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(2-methyl-4-nitrophenoxy)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)[C@H](C)O)Cl

DOS

IR

Vibrations