Geometry & MOs

Info

ID:	159118
PubChem CID:	57260456
Reduced:	NPO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	483.05561
ΔH_f, kcal/mol:	-141.06
Dipole, Da:	8.58
IP(EA), eV:	-9.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-methoxy-2,6-dimethyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine

Drug info:

PubChemData

Smile

CCOP(=O)(CC)OC1=CC=C(C=C1)C#N

DOS

IR

Vibrations