Geometry & MOs

Info

ID:	264751
PubChem CID:	103488535
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-88.03
Dipole, Da:	1.65
IP(EA), eV:	-8.73(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[3-(triazol-1-yl)propylamino]-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCOCC(C)OC1=C(C(=CC(=N1)C)C)/C(=N/O)/N

DOS

IR

Vibrations