Geometry & MOs

Info

ID:	254033
PubChem CID:	103122330
Reduced:	ON3C6H6 (2)
Stoich.:	AB3C6D6 (2)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	46.85
Dipole, Da:	4.19
IP(EA), eV:	-9.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methyl-5-(1-methylpyrazol-3-yl)-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=N1)C2=C3C=NC=CN3N=C2)C

DOS

IR

Vibrations