Geometry & MOs

Info

ID:	252819
PubChem CID:	103114353
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	301.073242
ΔH_f, kcal/mol:	-76.66
Dipole, Da:	5.6
IP(EA), eV:	-10.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2CCCC2O)C(=O)OCC=C

DOS

IR

Vibrations