Geometry & MOs

Info

ID:	297843
PubChem CID:	117633568
Reduced:	ClN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-95.18
Dipole, Da:	2.99
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=CO1)C2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(CO)(CO)NCl

DOS

IR

Vibrations