Geometry & MOs

Info

ID:	279194
PubChem CID:	103841979
Reduced:	BrClON3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	343.99272
ΔH_f, kcal/mol:	-21.97
Dipole, Da:	3.86
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-chlorobenzoyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=CC(=C(C=C2)Cl)Br)C

DOS

IR

Vibrations