Geometry & MOs

Info

ID:	340889
PubChem CID:	127263324
Reduced:	BrClNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	229.97426
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	1.95
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-6-fluoro-4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

C1CC2=C(CNC1)C=CC(=C2)Br.Cl

DOS

IR

Vibrations