Geometry & MOs

Info

ID:	294539
PubChem CID:	117468270
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	289.01137
ΔH_f, kcal/mol:	-115.96
Dipole, Da:	2.16
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=CC(=C(C(=C2O)O)F)Br

DOS

IR

Vibrations