Geometry & MOs

Info

ID:	375209
PubChem CID:	131472867
Reduced:	FNO5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	274.95933
ΔH_f, kcal/mol:	-161.62
Dipole, Da:	6.42
IP(EA), eV:	-10.76(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(5-fluoro-2-methyl-3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations