Geometry & MOs

Info

ID:	204789
PubChem CID:	80008379
Reduced:	NOSC16H27 (1)
Stoich.:	ABCD16E27 (1)
Weight, g/mol:	188.13472
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	3.79
IP(EA), eV:	-8.82(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanethiol

Drug info:

PubChemData

Smile

CCC(CC)(CN(CCO)CC1=CC=CC=C1)CS

DOS

IR

Vibrations