Geometry & MOs

Info

ID:

325320

PubChem CID:

126682728

Reduced:

N5H27C44 (1)

Stoich.:

A5B27C44 (1)

Weight, g/mol:

625.226646

ΔHf, kcal/mol:

234.27

Dipole, Da:

4.44

IP(EA), eV:

 -8.03(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-12-(8-phenyl-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)indolo[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C9C(=C7)N=CN=C9N(C1=CC=CC=C18)C1=CC=CC=C1

DOS

IR

Vibrations