Geometry & MOs

Info

ID:	432176
PubChem CID:	135172308
Reduced:	INH3C5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	519.89334
ΔH_f, kcal/mol:	106.02
Dipole, Da:	2.88
IP(EA), eV:	-9.67(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,19-diiodo-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)I)C2=CC(=CN=C2)I

DOS

IR

Vibrations