Geometry & MOs

Info

ID:	201529
PubChem CID:	79551326
Reduced:	SN2O3C13H26 (1)
Stoich.:	AB2C3D13E26 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-164.62
Dipole, Da:	7.83
IP(EA), eV:	-9.53(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3-methylphenyl)methyl]-2-methylsulfonylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CNCC(=O)NC1CCCCC1)S(=O)(=O)C

DOS

IR

Vibrations