Geometry & MOs

Info

ID:	442448
PubChem CID:	135252141
Reduced:	N5H33C51 (1)
Stoich.:	A5B33C51 (1)
Weight, g/mol:	614.247047
ΔH_f, kcal/mol:	289.65
Dipole, Da:	3.99
IP(EA), eV:	-7.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylphenyl)naphthalen-1-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC4=C3C(=CC=C4)C5=CC6=C(C=C5)N(C7=C6C8=CC=CC=C8N7C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations