Geometry & MOs

Info

ID:	252973
PubChem CID:	103115261
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	8.01
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CCCCCO)C(=O)OC

DOS

IR

Vibrations