Geometry & MOs

Info

ID:	373768
PubChem CID:	131319859
Reduced:	BrFON3H5C10 (1)
Stoich.:	ABCD3E5F10 (1)
Weight, g/mol:	310.87516
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	9.02
IP(EA), eV:	-9.6(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(3,5-dichloro-4-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=O)C(=C(N2)N)C#N)Br)F

DOS

IR

Vibrations