Geometry & MOs

Info

ID:	283778
PubChem CID:	104006141
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	288.187149
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	2.86
IP(EA), eV:	-8.9(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1OC)NCC2(CCC2)OC

DOS

IR

Vibrations