Geometry & MOs

Info

ID:	180684
PubChem CID:	76668992
Reduced:	BrClNO2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	194.02469
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	5.27
IP(EA), eV:	-9.01(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-chloro-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=NC2=CC=C(C(=O)C2C(=C1)Cl)Br

DOS

IR

Vibrations