Geometry & MOs

Info

ID:	209428
PubChem CID:	80672250
Reduced:	BrNSO4C12H18 (1)
Stoich.:	ABCD4E12F18 (1)
Weight, g/mol:	268.05751
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	6.26
IP(EA), eV:	-9.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(bromomethyl)piperidin-1-yl]-5-methylpyridine

Drug info:

PubChemData

Smile

CN(CC(COC)Br)S(=O)(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations