Geometry & MOs

Info

ID:	378019
PubChem CID:	134224087
Reduced:	ON3H27C38 (1)
Stoich.:	AB3C27D38 (1)
Weight, g/mol:	451.168462
ΔH_f, kcal/mol:	158.15
Dipole, Da:	1.23
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C4=CC(=CC=C4)C5=NC(=NC(=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations