Geometry & MOs

Info

ID:	320787
PubChem CID:	126663374
Reduced:	NH9C10 (1)
Stoich.:	AB9C10 (1)
Weight, g/mol:	535.99339
ΔH_f, kcal/mol:	129.93
Dipole, Da:	2.76
IP(EA), eV:	-8.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diiodo-8-methyl-3-[(3R)-3-methylpiperazin-1-yl]-1,4-diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene

Drug info:

PubChemData

Smile

CC1=C2C=CC=C1N=CC=C2

DOS

IR

Vibrations