Geometry & MOs

Info

ID:

377313

PubChem CID:

134223361

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

159.1

Dipole, Da:

3.53

IP(EA), eV:

 -8.17(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C8C9=CC=CC=C9OC8=C6)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations