Geometry & MOs

Info

ID:	292583
PubChem CID:	117355900
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	1.42
IP(EA), eV:	-8.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CCCN)OC)SC

DOS

IR

Vibrations