Geometry & MOs

Info

ID:	282980
PubChem CID:	103950274
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	226.113984
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	4.1
IP(EA), eV:	-8.47(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-prop-2-ynylsulfanylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)NC2CCCCC2SC

DOS

IR

Vibrations