Geometry & MOs

Info

ID:	295629
PubChem CID:	117539840
Reduced:	SN2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	268.043712
ΔH_f, kcal/mol:	5.37
Dipole, Da:	1.69
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chloro-2-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)CCC1=CSC(=N1)NC

DOS

IR

Vibrations