Geometry & MOs

Info

ID:	9285
PubChem CID:	87737
Reduced:	BrNO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	242.95311
ΔH_f, kcal/mol:	-18.53
Dipole, Da:	6.71
IP(EA), eV:	-10.57(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations