Geometry & MOs

Info

ID:	310337
PubChem CID:	126578994
Reduced:	NH17C25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	662.272199
ΔH_f, kcal/mol:	225.03
Dipole, Da:	2.41
IP(EA), eV:	-8.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-4-(6-phenylpyridin-3-yl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC=C5)C6=CC7=CC=CC=C7C(=N6)C8=CN=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations