Geometry & MOs

Info

ID:	315547
PubChem CID:	126627564
Reduced:	N2H15C24 (2)
Stoich.:	A2B15C24 (2)
Weight, g/mol:	662.247047
ΔH_f, kcal/mol:	254.92
Dipole, Da:	6.62
IP(EA), eV:	-8.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[9-(4,6-diphenylpyridin-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC(=CC=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=C(C=C9)C#N)C1=CC=CC=C14

DOS

IR

Vibrations