Geometry & MOs

Info

ID:	199125
PubChem CID:	79201910
Reduced:	ON3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	4.16
IP(EA), eV:	-8.71(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(methylamino)-N-[(4-methylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CNC(=O)C(C)CNC

DOS

IR

Vibrations