Geometry & MOs

Info

ID:	395917
PubChem CID:	135026892
Reduced:	SN5H19C27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	245.95282
ΔH_f, kcal/mol:	205.84
Dipole, Da:	6.78
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

azidoiodanuidylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(CC4=NC5=CC=CC=C5C=C4)C(C#N)C#N

DOS

IR

Vibrations