Geometry & MOs

Info

ID:	288498
PubChem CID:	104317798
Reduced:	OSN3C13H27 (1)
Stoich.:	ABC3D13E27 (1)
Weight, g/mol:	216.129634
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	3.61
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxybutyl)piperidine-3-carbothioamide

Drug info:

PubChemData

Smile

CCCC(C(=S)N)N1CCN(CC1)CCC(C)O

DOS

IR

Vibrations