Geometry & MOs

Info

ID:	372399
PubChem CID:	131296975
Reduced:	BrNO4H6C10 (1)
Stoich.:	ABC4D6E10 (1)
Weight, g/mol:	287.9665
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	4.71
IP(EA), eV:	-9.77(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-6-bromo-7-chloro-2,3-dihydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC2=C1NC(=O)C2=O)Br

DOS

IR

Vibrations