Geometry & MOs

Info

ID:	296334
PubChem CID:	117569249
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	3.1
IP(EA), eV:	-8.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxyphenyl)ethylamino]propane-1-thiol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NCCS

DOS

IR

Vibrations