Geometry & MOs

Info

ID:	314542
PubChem CID:	126622093
Reduced:	BrFNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	207.105942
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	2.45
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-8-fluoro-4-methyl-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC1CC2=CC(=C(C=C2NC1=O)F)Br

DOS

IR

Vibrations