Geometry & MOs

Info

ID:	202836
PubChem CID:	79732846
Reduced:	BrN2O4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	270.064057
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	5.06
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyanopyridin-4-yl)oxy-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)O)OC2=NC=C(C=N2)Br

DOS

IR

Vibrations