Geometry & MOs

Info

ID:	251589
PubChem CID:	103105125
Reduced:	SN3O4C10H17 (1)
Stoich.:	AB3C4D10E17 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	3.21
IP(EA), eV:	-10.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCS(=O)(=O)C)C

DOS

IR

Vibrations