Geometry & MOs

Info

ID:	211829
PubChem CID:	81054359
Reduced:	SN2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	263.145619
ΔH_f, kcal/mol:	49.54
Dipole, Da:	4.45
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations