Geometry & MOs

Info

ID:

377639

PubChem CID:

134223703

Reduced:

ON2H19C32 (2)

Stoich.:

AB2C19D32 (2)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

251.42

Dipole, Da:

3.26

IP(EA), eV:

 -8.2(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(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)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=CC8=C(C=C75)OC9=C8C=C(C=C9)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1

DOS

IR

Vibrations