Geometry & MOs

Info

ID:

315554

PubChem CID:

126627624

Reduced:

SN3H29C46 (1)

Stoich.:

AB3C29D46 (1)

Weight, g/mol:

665.221561

ΔHf, kcal/mol:

227.07

Dipole, Da:

3.97

IP(EA), eV:

 -8.11(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)N5C6=C(C=C(C=C6)C7=CC=CC=C7)C8=C5C=C9C1=CC=CC=C1SC9=C8

DOS

IR

Vibrations