Geometry & MOs

Info

ID:	343451
PubChem CID:	127266624
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	5.56
IP(EA), eV:	-9.17(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4,4-dimethoxypiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)SCC(=O)NCCN1C=NC=CC1=O

DOS

IR

Vibrations