Geometry & MOs

Info

ID:	288105
PubChem CID:	104311337
Reduced:	BrClIN3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	292.98515
ΔH_f, kcal/mol:	69.79
Dipole, Da:	3.55
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)C2=C(C=CC=N2)Br)Cl)I

DOS

IR

Vibrations