Geometry & MOs

Info

ID:	202056
PubChem CID:	79622497
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	278.166414
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	2.94
IP(EA), eV:	-9.56(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-3-methyl-4-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CC2(CCCCC2)C#N

DOS

IR

Vibrations