Geometry & MOs

Info

ID:	247759
PubChem CID:	103073170
Reduced:	NOSC10H21 (1)
Stoich.:	ABCD10E21 (1)
Weight, g/mol:	214.15037
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	1.9
IP(EA), eV:	-8.85(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCN(CCOCC)CC(=C)CS

DOS

IR

Vibrations