Geometry & MOs

Info

ID:	373310
PubChem CID:	131313093
Reduced:	BrFNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	274.95933
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	6.06
IP(EA), eV:	-10.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(2-fluoro-3-methyl-6-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)CBr

DOS

IR

Vibrations