Geometry & MOs

Info

ID:	284462
PubChem CID:	104047267
Reduced:	ClNSO6C12H14 (1)
Stoich.:	ABCD6E12F14 (1)
Weight, g/mol:	291.054301
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	7.83
IP(EA), eV:	-10.2(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2CCCO2)S(=O)(=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations