Geometry & MOs

Info

ID:	247775
PubChem CID:	103073208
Reduced:	NSC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	201.118735
ΔH_f, kcal/mol:	-3.0
Dipole, Da:	3.33
IP(EA), eV:	-8.77(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethylmorpholin-4-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CCN(CC)CC(=C)CS

DOS

IR

Vibrations