Geometry & MOs

Info

ID:

317161

PubChem CID:

126632687

Reduced:

O2N7H57C98 (1)

Stoich.:

A2B7C57D98 (1)

Weight, g/mol:

1515.539314

ΔHf, kcal/mol:

427.4

Dipole, Da:

1.42

IP(EA), eV:

 -8.07(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=NC3=C(C=C(C=C3)N3C4=CC=CC=C4C4=CC5=C(C=C43)OC3=CC=CC=C35)C(=N1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)OC3=CC=CC=C34)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations