Geometry & MOs

Info

ID:	392902
PubChem CID:	135018377
Reduced:	NO5C29H33 (1)
Stoich.:	AB5C29D33 (1)
Weight, g/mol:	432.01235
ΔH_f, kcal/mol:	-101.68
Dipole, Da:	3.48
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-iodo-4-phenylquinolin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1C(ON2C1C(C(C2COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO

DOS

IR

Vibrations