Geometry & MOs

Info

ID:	377138
PubChem CID:	134223176
Reduced:	ON2H32C49 (1)
Stoich.:	AB2C32D49 (1)
Weight, g/mol:	804.300145
ΔH_f, kcal/mol:	225.48
Dipole, Da:	1.27
IP(EA), eV:	-8.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-tri(carbazol-9-yl)-6-(N-(2-methylphenyl)anilino)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1C=CC(=CC2=C1OC3=C2C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations