Geometry & MOs

Info

ID:	315706
PubChem CID:	126628598
Reduced:	NSH14C24 (2)
Stoich.:	ABC14D24 (2)
Weight, g/mol:	534.184447
ΔH_f, kcal/mol:	222.85
Dipole, Da:	2.74
IP(EA), eV:	-8.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC=C2N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC=C7S6)N8C9=C(C1=CC=CC=C18)C1=C(C=C9)C2=CC=CC=C2S1

DOS

IR

Vibrations