Geometry & MOs

Info

ID:	432136
PubChem CID:	135172268
Reduced:	I2N3H9C16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	496.88859
ΔH_f, kcal/mol:	143.96
Dipole, Da:	2.07
IP(EA), eV:	-8.85(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-8-(3-iodophenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=NC=CC(=C4)I)N=C(C=C3)I

DOS

IR

Vibrations