Geometry & MOs

Info

ID:

316965

PubChem CID:

126632162

Reduced:

O4N6C31H40 (1)

Stoich.:

A4B6C31D40 (1)

Weight, g/mol:

1199.38354

ΔHf, kcal/mol:

-66.47

Dipole, Da:

9.97

IP(EA), eV:

 -9.05(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-2-yl-9-[6-(2-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinazolin-2-yl]carbazole

Drug info:

PubChemData

Smile

CC1C(=O)N2CCCC(N2)C(=O)OC(C3=NC4=C(C=CC(=C4)/C=C/C(CNC(C(=O)N1)C(C)C)(C)C)C(=C3)C#N)C

DOS

IR

Vibrations