Geometry & MOs

Info

ID:

316685

PubChem CID:

126631552

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

411.76

Dipole, Da:

3.27

IP(EA), eV:

 -7.89(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N,6-N-diphenyl-2-[3-(N-phenylanilino)carbazol-9-yl]-6-N-(9-phenylcarbazol-2-yl)-4-N-(9-phenylcarbazol-3-yl)quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=NC(=NC6=C5C=C(C=C6)N(C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC3=C(C=C1)C1=CC=CC=C1N3C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations