Geometry & MOs

Info

ID:

428138

PubChem CID:

135166192

Reduced:

N5H37C57 (1)

Stoich.:

A5B37C57 (1)

Weight, g/mol:

792.300145

ΔHf, kcal/mol:

300.12

Dipole, Da:

2.11

IP(EA), eV:

 -8.1(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4,6-diphenylpyridin-2-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[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=CC=CC=C6C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC(=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations