Geometry & MOs

Info

ID:	251546
PubChem CID:	103104789
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	6.5
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(N=N1)C(=O)OCC)C2=CC=C(C=C2)N

DOS

IR

Vibrations