Geometry & MOs

Info

ID:	432174
PubChem CID:	135172306
Reduced:	I2N3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	535.92464
ΔH_f, kcal/mol:	147.98
Dipole, Da:	3.99
IP(EA), eV:	-8.96(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1Z)-buta-1,3-dienyl]-2,11-diiodo-5-methylbenzimidazolo[2,1-a]isoquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=N3)I)C4=NC5=C(N24)C=CC=C5I

DOS

IR

Vibrations