Geometry & MOs

Info

ID:	247764
PubChem CID:	103073186
Reduced:	NOSC11H19 (1)
Stoich.:	ABCD11E19 (1)
Weight, g/mol:	202.15037
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	0.77
IP(EA), eV:	-8.97(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(dimethylamino)propyl-methylamino]methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(CN1C2CCC1CC(C2)O)CS

DOS

IR

Vibrations