Geometry & MOs

Info

ID:	201956
PubChem CID:	79609175
Reduced:	NSO6C10H17 (1)
Stoich.:	ABC6D10E17 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-269.26
Dipole, Da:	4.25
IP(EA), eV:	-10.05(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

Drug info:

PubChemData

Smile

COC(=O)CS(=O)(=O)N1CCC(CC1)CC(=O)O

DOS

IR

Vibrations