Geometry & MOs

Info

ID:	320725
PubChem CID:	126663124
Reduced:	BrNO4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-175.81
Dipole, Da:	5.82
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-1-hydroxyethyl)-8-butoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCOC1=C2C(=C(C=C1)C(CBr)OC(C)OCCCC)C=CC(=O)N2

DOS

IR

Vibrations