Geometry & MOs

Info

ID:	126518
PubChem CID:	50967138
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-43.06
Dipole, Da:	0.96
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCCNC(C)COC)C

DOS

IR

Vibrations