Geometry & MOs

Info

ID:

316711

PubChem CID:

126631612

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

416.71

Dipole, Da:

2.3

IP(EA), eV:

 -7.8(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,9-diphenyl-N-[2-[2-(N-phenylanilino)carbazol-9-yl]-4-[3-(N-phenylanilino)carbazol-9-yl]quinazolin-6-yl]carbazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)N=C(N=C6N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C17)N1C3=C(C=C(C=C3)N(C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations