Geometry & MOs

Info

ID:	247798
PubChem CID:	103073290
Reduced:	NOSC10H19 (1)
Stoich.:	ABCD10E19 (1)
Weight, g/mol:	214.15037
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	1.94
IP(EA), eV:	-8.9(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)piperidin-1-yl]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCC1CN(CCO1)CC(=C)CS

DOS

IR

Vibrations