Geometry & MOs

Info

ID:	292584
PubChem CID:	117355901
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-61.59
Dipole, Da:	3.94
IP(EA), eV:	-8.13(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1OC)SC)CCCN

DOS

IR

Vibrations