Geometry & MOs

Info

ID:

316679

PubChem CID:

126631504

Reduced:

N8H56C81 (1)

Stoich.:

A8B56C81 (1)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

406.38

Dipole, Da:

2.16

IP(EA), eV:

 -7.85(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=NC7=C(C=C(C=C7)N8C9=CC=CC=C9C1=C8C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=N6)CN1C2=CC=CC=C2C2=C1C=C(C=C2)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations