Geometry & MOs

Info

ID:	357716
PubChem CID:	127294390
Reduced:	SO3N4C17H34 (1)
Stoich.:	AB3C4D17E34 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-144.04
Dipole, Da:	3.8
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations