Geometry & MOs

Info

ID:	206956
PubChem CID:	80324744
Reduced:	SN3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	278.091141
ΔH_f, kcal/mol:	73.39
Dipole, Da:	1.29
IP(EA), eV:	-9.33(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylsulfanyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CC2=NC=CS2

DOS

IR

Vibrations