Geometry & MOs

Info

ID:

316512

PubChem CID:

126631057

Reduced:

N2H26C35 (1)

Stoich.:

A2B26C35 (1)

Weight, g/mol:

888.267131

ΔHf, kcal/mol:

153.46

Dipole, Da:

3.23

IP(EA), eV:

 -7.92(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC4=C3N(C5=CC6=CC=CC=C6C=C45)C7=CC=CC=C7

DOS

IR

Vibrations