Geometry & MOs

Info

ID:

316275

PubChem CID:

126630561

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2300.858797

ΔHf, kcal/mol:

852.58

Dipole, Da:

1.59

IP(EA), eV:

 -7.92(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[2,4-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-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=C(C=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=C(C=C1)N1C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C=C(C=C6)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations