Geometry & MOs

Info

ID:	143755
PubChem CID:	53254497
Reduced:	BrO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	248.011933
ΔH_f, kcal/mol:	-151.15
Dipole, Da:	3.4
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-8-chloro-1-hydroxy-3,4-dihydroquinolin-2-one;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCC2)C(=C1O)C(=O)OC)Br

DOS

IR

Vibrations