Geometry & MOs

Info

ID:	252140
PubChem CID:	103109406
Reduced:	ClO3N5C12H16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	271.047217
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	3.32
IP(EA), eV:	-10.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NC(=NO2)C(C)C)CCl

DOS

IR

Vibrations