Geometry & MOs

Info

ID:

377540

PubChem CID:

134223598

Reduced:

O2N5H37C63 (1)

Stoich.:

A2B5C37D63 (1)

Weight, g/mol:

921.346761

ΔHf, kcal/mol:

264.03

Dipole, Da:

1.01

IP(EA), eV:

 -8.13(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-[3-(4,6-diphenyl-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)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1OC9=C8)C1=CC=CC=C1)C1=C4C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations