Geometry & MOs

Info

ID:	442053
PubChem CID:	135248612
Reduced:	ON6H36C46 (1)
Stoich.:	AB6C36D46 (1)
Weight, g/mol:	589.226646
ΔH_f, kcal/mol:	174.14
Dipole, Da:	4.62
IP(EA), eV:	-8.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=NC(=NC(=N2)C3=CC4=C(C=C3)OC5=C4C=C(C=C5)N6C7=CC=CC=C7N8C6=NC9=CC=CC=C98)C1=C(C=C(C=C1C)C)C)C

DOS

IR

Vibrations