Geometry & MOs

Info

ID:	252821
PubChem CID:	103114355
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	5.31
IP(EA), eV:	-10.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NOC(=N2)C(C)C)C(=O)OCC=C

DOS

IR

Vibrations