Geometry & MOs

Info

ID:	432178
PubChem CID:	135172310
Reduced:	NI2H9C17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	481.87769
ΔH_f, kcal/mol:	115.8
Dipole, Da:	4.45
IP(EA), eV:	-9.09(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-diiodobenzo[f][1,7]phenanthroline

Drug info:

PubChemData

Smile

C1=CC=C2C3=C(C4=C(C2=C1)C=CC(=C4)I)N=C(C=C3)I

DOS

IR

Vibrations