Geometry & MOs

Info

ID:	193492
PubChem CID:	78399871
Reduced:	ON5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	512.88351
ΔH_f, kcal/mol:	15.88
Dipole, Da:	3.45
IP(EA), eV:	-8.36(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,7a-dihydrobenzimidazol-2-ylidene)-3-(3,5-diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)propanenitrile

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3=NC(CN3C(=O)N2)CN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations