Geometry & MOs

Info

ID:	39198
PubChem CID:	8139901
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	329.16876
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	4.35
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[(3-phenylsulfanylpropanoylamino)methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations