Geometry & MOs

Info

ID:	310569
PubChem CID:	126582359
Reduced:	ON3H29C44 (1)
Stoich.:	AB3C29D44 (1)
Weight, g/mol:	624.195011
ΔH_f, kcal/mol:	207.63
Dipole, Da:	1.88
IP(EA), eV:	-8.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-cyano-2-(12-phenyl-[1]benzofuro[3,2-a]carbazol-9-yl)phenyl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=CC3=C2OC4=C3C=C(C=C4)C5=C(C=CC=C5N6C7=CC=CC=C7C8=CC=CC=C86)C#N)C9=CC=CC=C9)/C=C\C=C

DOS

IR

Vibrations