Geometry & MOs

Info

ID:	252154
PubChem CID:	103109450
Reduced:	ClO3N4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	299.078517
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	3.56
IP(EA), eV:	-10.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC)CCl

DOS

IR

Vibrations