Geometry & MOs

Info

ID:	279124
PubChem CID:	103841514
Reduced:	BrClON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	393.97535
ΔH_f, kcal/mol:	22.85
Dipole, Da:	4.98
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN(C)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations