Geometry & MOs

Info

ID:

377664

PubChem CID:

134223728

Reduced:

ON2H16C28 (2)

Stoich.:

AB2C16D28 (2)

Weight, g/mol:

792.252526

ΔHf, kcal/mol:

224.47

Dipole, Da:

2.59

IP(EA), eV:

 -8.16(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-2-[7-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=CC7=C(C=C64)OC8=C7C=C(C=C8)C9=CC1=C(C=C9)N(C2=C1C=C1C3=CC=CC=C3OC1=C2)C1=CC=CC=C1

DOS

IR

Vibrations