Geometry & MOs

Info

ID:	282030
PubChem CID:	103914682
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	266.064447
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	1.28
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine

Drug info:

PubChemData

Smile

CCOCC(C)N[C@@H](C)C1=CC=CC=C1Cl

DOS

IR

Vibrations