Geometry & MOs

Info

ID:	207682
PubChem CID:	80437542
Reduced:	BrClFC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	299.113313
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	3.03
IP(EA), eV:	-9.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropyl)-8-(2,2,2-trifluoroethoxy)-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(CCC1=CC(=CC(=C1)Br)F)Cl

DOS

IR

Vibrations