Geometry & MOs

Info

ID:

316703

PubChem CID:

126631591

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

412.0

Dipole, Da:

2.34

IP(EA), eV:

 -7.81(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=NC(=NC7=C6C=C(C=C7)N8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C18)N1C2=CC=CC=C2C2=C1C=C(C=C2)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations