Geometry & MOs

Info

ID:	293699
PubChem CID:	117397128
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations