Geometry & MOs

Info

ID:

428108

PubChem CID:

135166111

Reduced:

N5H37C57 (1)

Stoich.:

A5B37C57 (1)

Weight, g/mol:

789.289246

ΔHf, kcal/mol:

295.98

Dipole, Da:

2.04

IP(EA), eV:

 -8.04(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-triphenylen-2-ylindolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations