Geometry & MOs

Info

ID:	209499
PubChem CID:	80680276
Reduced:	NBr2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	283.02416
ΔH_f, kcal/mol:	48.21
Dipole, Da:	3.24
IP(EA), eV:	-9.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(3-methylsulfonylpropyl)piperidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCBr)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations