Geometry & MOs

Info

ID:

317160

PubChem CID:

126632686

Reduced:

ON9H73C122 (1)

Stoich.:

AB9C73D122 (1)

Weight, g/mol:

1364.460729

ΔHf, kcal/mol:

570.43

Dipole, Da:

4.18

IP(EA), eV:

 -8.04(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(3-dibenzofuran-2-ylcarbazol-9-yl)quinazolin-6-yl]-[1]benzofuro[2,3-b]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=NC(=NC3=C1C=C(C=C3)N1C3=CC=CC=C3C3=CC4=C(C=C31)OC1=CC=CC=C14)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