Geometry & MOs

Info

ID:

319525

PubChem CID:

126656530

Reduced:

ON2H36C47 (1)

Stoich.:

AB2C36D47 (1)

Weight, g/mol:

837.346761

ΔHf, kcal/mol:

232.41

Dipole, Da:

3.09

IP(EA), eV:

 -8.07(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[3-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C3=C1C4=C(N3C5=CC=CC=C5)C(=CC6(C4OC7=CC=CC=C76)C)C8=CC(=CC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations