Geometry & MOs

Info

ID:	201969
PubChem CID:	79610668
Reduced:	SN2O4C12H24 (1)
Stoich.:	AB2C4D12E24 (1)
Weight, g/mol:	317.213698
ΔH_f, kcal/mol:	-196.96
Dipole, Da:	5.95
IP(EA), eV:	-9.36(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylsulfonylpiperidin-3-yl)methyl]-1-piperidin-1-ylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NCC1CCCN(C1)S(=O)(=O)C

DOS

IR

Vibrations