Geometry & MOs

Info

ID:

319446

PubChem CID:

126656060

Reduced:

ON2H17C28 (2)

Stoich.:

AB2C17D28 (2)

Weight, g/mol:

794.268176

ΔHf, kcal/mol:

220.69

Dipole, Da:

3.56

IP(EA), eV:

 -8.18(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4-dibenzofuran-2-yl-5,6-dihydroquinazolin-2-yl)-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N=C(N=C2C3=CC4=C(C=C3)OC5=CC=CC=C54)N6C7=CC=CC=C7C8=C(C=C9C1=CC=CC=C1OC9=C86)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations