Geometry & MOs

Info

ID:	199327
PubChem CID:	79231293
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-59.08
Dipole, Da:	7.51
IP(EA), eV:	-8.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-[[6-(methylamino)pyridin-2-yl]methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CCNC1=CC=CC(=N1)CN2CCCS2(=O)=O

DOS

IR

Vibrations