Geometry & MOs

Info

ID:	178352
PubChem CID:	76314252
Reduced:	BrClNOH9C12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	436.84485
ΔH_f, kcal/mol:	11.86
Dipole, Da:	6.44
IP(EA), eV:	-9.03(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(2,3-dibromo-2-methylpropyl)quinolin-4-one

Drug info:

PubChemData

Smile

C=CCN1C=C(C(=O)C2=C1C=C(C=C2)Cl)Br

DOS

IR

Vibrations