Geometry & MOs

Info

ID:	375210
PubChem CID:	131472873
Reduced:	BrFNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	274.95933
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	3.72
IP(EA), eV:	-10.56(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations