Geometry & MOs

Info

ID:	252822
PubChem CID:	103114361
Reduced:	SO2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	10.64
Dipole, Da:	5.16
IP(EA), eV:	-9.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[(5-nitrofuran-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations