Geometry & MOs

Info

ID:	211787
PubChem CID:	81054127
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	-33.34
Dipole, Da:	3.67
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2CCOCC2

DOS

IR

Vibrations