Geometry & MOs

Info

ID:	181596
PubChem CID:	76764255
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	328.006928
ΔH_f, kcal/mol:	-162.89
Dipole, Da:	1.22
IP(EA), eV:	-9.29(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dichlorophenyl)-4-fluorophenoxy]propanoic acid

Drug info:

PubChemData

Smile

C[C@]12CCC[C@H]1[C@H]([C@H](N2C(=O)OC(C)(C)C)CC3=CC=CC=C3)O

DOS

IR

Vibrations