Geometry & MOs

Info

ID:	141296
PubChem CID:	52855875
Reduced:	NOSC19H26 (1)
Stoich.:	ABCD19E26 (1)
Weight, g/mol:	315.165686
ΔH_f, kcal/mol:	13.74
Dipole, Da:	1.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.144361
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-1-phenylpropan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)[NH+](C)CC2=CC(=C(C=C2)SC)OC

DOS

IR

Vibrations