Geometry & MOs

Info

ID:	252622
PubChem CID:	103112745
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-140.03
Dipole, Da:	2.69
IP(EA), eV:	-10.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2CNC(=O)O2)C(=O)OC(C)(C)C

DOS

IR

Vibrations