Geometry & MOs

Info

ID:	272743
PubChem CID:	103753920
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	339.09462
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	1.67
IP(EA), eV:	-9.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C1)(C#N)C(=O)NCCC2=CC=CC=C2OC

DOS

IR

Vibrations