Geometry & MOs

Info

ID:	201964
PubChem CID:	79609911
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-161.93
Dipole, Da:	1.96
IP(EA), eV:	-9.49(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpyridin-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)CNC(=O)N2CCC(CC2)CC(=O)O)C

DOS

IR

Vibrations