Geometry & MOs

Info

ID:	311366
PubChem CID:	126591158
Reduced:	ON4H22C39 (1)
Stoich.:	AB4C22D39 (1)
Weight, g/mol:	499.179696
ΔH_f, kcal/mol:	200.43
Dipole, Da:	3.55
IP(EA), eV:	-8.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=C4C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC(=C9)C#N

DOS

IR

Vibrations