Geometry & MOs

Info

ID:	375211
PubChem CID:	131472878
Reduced:	BrFNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	231.009849
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	3.75
IP(EA), eV:	-10.77(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(2-fluoro-4-methyl-3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C(=O)CBr)F)[N+](=O)[O-]

DOS

IR

Vibrations