Geometry & MOs

Info

ID:	419445
PubChem CID:	135108191
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	350.177647
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	2.47
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2CN(C2)C(=O)CSCC3CC3

DOS

IR

Vibrations