Geometry & MOs

Info

ID:	310346
PubChem CID:	126579082
Reduced:	NH35C55 (1)
Stoich.:	AB35C55 (1)
Weight, g/mol:	659.2613
ΔH_f, kcal/mol:	229.48
Dipole, Da:	2.73
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C3=CC=CC=C32)C4=CC(=NC5=CC=CC=C54)C6=CC=CC(=C6)C7=CC(=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations