Geometry & MOs

Info

ID:	310349
PubChem CID:	126579153
Reduced:	N3H31C47 (1)
Stoich.:	A3B31C47 (1)
Weight, g/mol:	714.278347
ΔH_f, kcal/mol:	224.38
Dipole, Da:	3.61
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-(4,6-diphenylpyridin-2-yl)carbazol-1-yl]-9-(6-phenylpyridin-2-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC(=C2)C3C4=C(C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=CC=CC=C39)C1=CC=NC=C1

DOS

IR

Vibrations