Geometry & MOs

Info

ID:	292585
PubChem CID:	117355904
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-66.52
Dipole, Da:	1.81
IP(EA), eV:	-8.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxy-3-methylsulfanylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CCCN)OC)SC

DOS

IR

Vibrations