Geometry & MOs

Info

ID:	432173
PubChem CID:	135172305
Reduced:	NI2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	520.88859
ΔH_f, kcal/mol:	95.19
Dipole, Da:	3.95
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,19-diiodo-6,14,21-triazapentacyclo[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(=CC(=C1)I)C2=NC(=CC=C2)I

DOS

IR

Vibrations