Geometry & MOs

Info

ID:	290806
PubChem CID:	111123367
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	320.213364
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.44
IP(EA), eV:	-8.88(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[methyl(3-methylsulfonylbutan-2-yl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN2CCCN(CC2)C(=O)OC3=CC=CC=C3)O

DOS

IR

Vibrations