Geometry & MOs

Info

ID:	306247
PubChem CID:	125003316
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	4.4
IP(EA), eV:	-8.39(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-[(6-methylpyridin-2-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCN(C[C@]12CCCO2)CC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations