Geometry & MOs

Info

ID:	414863
PubChem CID:	135087835
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-128.96
Dipole, Da:	2.49
IP(EA), eV:	-9.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-2-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations