Geometry & MOs

Info

ID:	426440
PubChem CID:	135144180
Reduced:	N4H34C51 (1)
Stoich.:	A4B34C51 (1)
Weight, g/mol:	640.226312
ΔH_f, kcal/mol:	258.84
Dipole, Da:	1.22
IP(EA), eV:	-8.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=CC=C(C=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations