Geometry & MOs

Info

ID:	320680
PubChem CID:	126662488
Reduced:	BrFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-152.43
Dipole, Da:	5.93
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-3-oxo-2,4-dihydro-1H-quinolin-4-yl) acetate

Drug info:

PubChemData

Smile

COC(=O)CC[C@H]1CNC2=CC(=C(C=C2O1)F)Br

DOS

IR

Vibrations