Geometry & MOs

Info

ID:	272709
PubChem CID:	103752443
Reduced:	BrN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	339.09462
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	4.93
IP(EA), eV:	-9.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1CCCN(C1)C(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations