Geometry & MOs

Info

ID:	80584
PubChem CID:	49835304
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-25.88
Dipole, Da:	1.88
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-tert-butyl-5-methoxyquinolin-8-yl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(C(=C1)C3=CC=CNC3=O)N=CC(=C2)Br)OC

DOS

IR

Vibrations