Geometry & MOs

Info

ID:	310436
PubChem CID:	126580317
Reduced:	ON3H19C32 (1)
Stoich.:	AB3C19D32 (1)
Weight, g/mol:	589.19026
ΔH_f, kcal/mol:	153.41
Dipole, Da:	2.72
IP(EA), eV:	-8.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=C4C7=C(C=C6)C8=CC=CC=C8O7

DOS

IR

Vibrations