Geometry & MOs

Info

ID:	212264
PubChem CID:	81059955
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	303.176919
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	6.6
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNC1=C(C(=NC(=C1)C)C)C(=S)N

DOS

IR

Vibrations