Geometry & MOs

Info

ID:	160988
PubChem CID:	57390444
Reduced:	ClN4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	294.0459
ΔH_f, kcal/mol:	72.34
Dipole, Da:	6.39
IP(EA), eV:	-9.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-fluorophenoxy)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=NCC2=NN=C(N2C3=C1C=C(C=C3)Cl)C

DOS

IR

Vibrations