Geometry & MOs

Info

ID:

316707

PubChem CID:

126631607

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

415.45

Dipole, Da:

1.15

IP(EA), eV:

 -7.84(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-9-[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)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=NC(=NC7=C6C=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations