Geometry & MOs

Info

ID:	292581
PubChem CID:	117355897
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	8.61
IP(EA), eV:	-9.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-2-methylsulfonylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations