Geometry & MOs

Info

ID:	251676
PubChem CID:	103105905
Reduced:	ON4C5H7 (2)
Stoich.:	AB4C5D7 (2)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	12.97
Dipole, Da:	6.01
IP(EA), eV:	-10.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=NC(=NC(=N2)N)N)C(=O)OC

DOS

IR

Vibrations