Geometry & MOs

Info

ID:

316261

PubChem CID:

126630499

Reduced:

N11H91C148 (1)

Stoich.:

A11B91C148 (1)

Weight, g/mol:

2072.764897

ΔHf, kcal/mol:

712.66

Dipole, Da:

0.74

IP(EA), eV:

 -8.08(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[2,4-bis[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]quinazolin-6-yl]carbazol-3-yl]-9-phenyl-6-(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)C6=C(N5C7=CC=CC=C7)C=C(C=C6)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC(=NC(=N1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)C3=C(N4C4=CC=CC=C4)C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)C3=C(N4C4=CC=CC=C4)C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations