Geometry & MOs

Info

ID:	266445
PubChem CID:	103566599
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	287.059386
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	4.57
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)OC2=CC(=CC(=C2)OC)C#N

DOS

IR

Vibrations