Geometry & MOs

Info

ID:	292582
PubChem CID:	117355898
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	5.55
IP(EA), eV:	-9.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)C)CCCN

DOS

IR

Vibrations