Geometry & MOs

Info

ID:	371923
PubChem CID:	131280008
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	263.93528
ΔH_f, kcal/mol:	25.62
Dipole, Da:	2.38
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-3-fluoro-2-methylphenyl)-2-chloroethanone

Drug info:

PubChemData

Smile

CC1=COC2=C1C=C(C=C2)C(CC#N)N

DOS

IR

Vibrations