Geometry & MOs

Info

ID:	310570
PubChem CID:	126582487
Reduced:	ON4H24C44 (1)
Stoich.:	AB4C24D44 (1)
Weight, g/mol:	575.199762
ΔH_f, kcal/mol:	228.22
Dipole, Da:	4.16
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-cyano-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-3-yl)phenyl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C(C=C(C=C4)C#N)N5C6=C(C=C(C=C6)C#N)C7=CC=CC=C75)C8=C2C9=C(C=C8)OC1=CC=CC=C19

DOS

IR

Vibrations