Geometry & MOs

Info

ID:	202837
PubChem CID:	79732847
Reduced:	NO2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	250.070205
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	9.07
IP(EA), eV:	-9.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-(1-methyltetrazol-5-yl)oxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)O)OC2=CC(=NC=C2)C#N

DOS

IR

Vibrations