Geometry & MOs

Info

ID:	251649
PubChem CID:	103105664
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	5.0
IP(EA), eV:	-10.28(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN1C(=C(N=N1)C(=O)OC)CC

DOS

IR

Vibrations