Geometry & MOs

Info

ID:	57763
PubChem CID:	24277117
Reduced:	SN3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	255.140533
ΔH_f, kcal/mol:	1.01
Dipole, Da:	4.1
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-pyrrolidin-1-ylpiperidine-4-carbothioamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=S)N)N2CCNCC2

DOS

IR

Vibrations