Geometry & MOs

Info

ID:	415640
PubChem CID:	135088639
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	2.98
IP(EA), eV:	-8.46(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC(=O)NC3=CN(N=C3C)C

DOS

IR

Vibrations