Geometry & MOs

Info

ID:	264749
PubChem CID:	103488235
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	325.091869
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	3.07
IP(EA), eV:	-10.02(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCC(C#N)OC(C)COCC

DOS

IR

Vibrations