Geometry & MOs

Info

ID:	202050
PubChem CID:	79621977
Reduced:	SO2N3C14H27 (1)
Stoich.:	AB2C3D14E27 (1)
Weight, g/mol:	276.187149
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	5.8
IP(EA), eV:	-8.52(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CN2CCNCC2C3CC3

DOS

IR

Vibrations