Geometry & MOs

Info

ID:	438554
PubChem CID:	135228297
Reduced:	ON5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	331.139287
ΔH_f, kcal/mol:	57.32
Dipole, Da:	5.4
IP(EA), eV:	-8.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N=CN)N=NN

DOS

IR

Vibrations