Geometry & MOs

Info

ID:	156229
PubChem CID:	56369745
Reduced:	BrON3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	422.01452
ΔH_f, kcal/mol:	-44.74
Dipole, Da:	3.31
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCN2CCCC(C2)C)Br

DOS

IR

Vibrations