Geometry & MOs

Info

ID:

378134

PubChem CID:

134224208

Reduced:

SN4H46C58 (1)

Stoich.:

AB4C46D58 (1)

Weight, g/mol:

730.309647

ΔHf, kcal/mol:

238.18

Dipole, Da:

3.1

IP(EA), eV:

 -8.45(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyl-5,11,11-triphenyl-2,3-dihydroindeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=C1C=C4C(CCC5=CC=CC=C5SC4=C3)CC6=CC(=CC(=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations