Geometry & MOs

Info

ID:	247779
PubChem CID:	103073220
Reduced:	NSC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	214.15037
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	2.29
IP(EA), eV:	-8.76(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CC(C)N(C)CC(=C)CS

DOS

IR

Vibrations