Geometry & MOs

Info

ID:	277175
PubChem CID:	103827162
Reduced:	BrClON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	1.45
IP(EA), eV:	-10.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(4-cyano-1-methylpiperidin-4-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations