Geometry & MOs

Info

ID:	310343
PubChem CID:	126579057
Reduced:	NH17C25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	663.267448
ΔH_f, kcal/mol:	224.66
Dipole, Da:	2.16
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-pyridin-4-ylpyridin-2-yl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC(=C5)C6=CC(=CC=C6)C7=CC(=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations