Geometry & MOs

Info

ID:	268607
PubChem CID:	103600193
Reduced:	INO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	283.081773
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	3.08
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C(=O)C1=C(C=CC(=C1)I)O)OC

DOS

IR

Vibrations