Geometry & MOs

Info

ID:	291759
PubChem CID:	113472542
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	3.82
IP(EA), eV:	-9.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-methoxy-2-(3-methylsulfanylpropoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1C(OC=N1)C2=CSC(=N2)C(C)(C)C

DOS

IR

Vibrations