Geometry & MOs

Info

ID:	310786
PubChem CID:	126587518
Reduced:	BrClNOH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	265.086956
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	3.84
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-8-(cyclobutyloxymethyl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=CC(=C2Br)Cl

DOS

IR

Vibrations