Geometry & MOs

Info

ID:	211848
PubChem CID:	81054422
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	4.38
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations