Geometry & MOs

Info

ID:	310431
PubChem CID:	126580259
Reduced:	O2N4H22C39 (1)
Stoich.:	A2B4C22D39 (1)
Weight, g/mol:	640.226312
ΔH_f, kcal/mol:	164.92
Dipole, Da:	1.98
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)OC7=CC=CC=C76)C8=CC=CC9=C8OC1=CC=CC=C91

DOS

IR

Vibrations