Geometry & MOs

Info

ID:	292580
PubChem CID:	117355892
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	4.16
IP(EA), eV:	-8.17(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethyl-5-methylsulfonylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C1=C(C(=C(C=C1)SC)OC)OC)N

DOS

IR

Vibrations