Geometry & MOs

Info

ID:	252766
PubChem CID:	103113975
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	4.33
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCCSCC)C(=O)OC

DOS

IR

Vibrations