Geometry & MOs

Info

ID:	251581
PubChem CID:	103105056
Reduced:	ON4C5H7 (2)
Stoich.:	AB4C5D7 (2)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	8.08
Dipole, Da:	5.32
IP(EA), eV:	-10.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NC(=NC(=N2)N)N)C

DOS

IR

Vibrations