Geometry & MOs

Info

ID:	251713
PubChem CID:	103106227
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-93.11
Dipole, Da:	5.51
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2CN(CCO2)C)C(=O)OCC

DOS

IR

Vibrations