Geometry & MOs

Info

ID:	310427
PubChem CID:	126580203
Reduced:	ON2H28C46 (1)
Stoich.:	AB2C28D46 (1)
Weight, g/mol:	664.237545
ΔH_f, kcal/mol:	182.77
Dipole, Da:	2.02
IP(EA), eV:	-7.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-phenyl-6-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=CC4=CC=CC=C43)C5=C2C6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)C9=CC=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations