Geometry & MOs

Info

ID:	310433
PubChem CID:	126580269
Reduced:	N4H26C39 (1)
Stoich.:	A4B26C39 (1)
Weight, g/mol:	716.257612
ΔH_f, kcal/mol:	212.55
Dipole, Da:	1.34
IP(EA), eV:	-8.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(6-phenyldibenzofuran-4-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations