Geometry & MOs

Info

ID:	287333
PubChem CID:	104237101
Reduced:	ClNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	307.079763
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	2.26
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-chloro-4-(2-phenylsulfanylethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C(=O)OCC)OC1=C(C=C(C=C1)C(C)NC)Cl

DOS

IR

Vibrations