Geometry & MOs

Info

ID:	247751
PubChem CID:	103073150
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	28.34
Dipole, Da:	3.14
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylpiperidin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC1=CSC2=C1N=CN(C2=O)CC(=C)CNC3CC3

DOS

IR

Vibrations