Geometry & MOs

Info

ID:	127053
PubChem CID:	50988565
Reduced:	ClNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	329.040791
ΔH_f, kcal/mol:	-159.75
Dipole, Da:	3.26
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methanamine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=C(C=C1)N)C(=O)OC.Cl

DOS

IR

Vibrations