Geometry & MOs

Info

ID:	236479
PubChem CID:	92713397
Reduced:	OSCl2N4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	80.73
Dipole, Da:	4.93
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(2-methoxyethyl)-3-[(S)-(2-methoxyphenyl)-piperidin-1-ylmethyl]-6-methylpyridin-2-one

Drug info:

PubChemData

Smile

C1[C@H](C1(Cl)Cl)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

DOS

IR

Vibrations