Geometry & MOs

Info

ID:

317162

PubChem CID:

126632691

Reduced:

ON8H66C110 (1)

Stoich.:

AB8C66D110 (1)

Weight, g/mol:

1199.431159

ΔHf, kcal/mol:

512.05

Dipole, Da:

3.79

IP(EA), eV:

 -8.0(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N=C(N=C8N9C1=C(C=C(C=C1)C1=CC3=C(C=C1)OC1=CC=CC=C13)C1=CC=CC=C19)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations