Geometry & MOs

Info

ID:	252981
PubChem CID:	103115289
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	289.092337
ΔH_f, kcal/mol:	16.36
Dipole, Da:	7.7
IP(EA), eV:	-9.49(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-methylpyrazol-4-yl)-1-(1,2,4-oxadiazol-5-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC3CCC3)C(=O)OC

DOS

IR

Vibrations