Geometry & MOs

Info

ID:

316744

PubChem CID:

126631698

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

424.44

Dipole, Da:

1.75

IP(EA), eV:

 -7.84(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N,4-N,6-N-triphenyl-3-N,4-N,6-N-tris(9-phenylcarbazol-3-yl)cinnoline-3,4,6-triamine

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=CC7=C(C=C6)N=C(C(=N7)N8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C18)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations