Geometry & MOs

Info

ID:	159422
PubChem CID:	57280125
Reduced:	BrNH10C11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	34.08
Dipole, Da:	1.88
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-5-[4-(2-hydroxyethylamino)butyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(NC(=C1)Br)C2=CC=CC=C2

DOS

IR

Vibrations