Geometry & MOs

Info

ID:	252057
PubChem CID:	103108794
Reduced:	ClO2N4C13H21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	284.067618
ΔH_f, kcal/mol:	-58.26
Dipole, Da:	4.4
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN2CCCCC2)CCl

DOS

IR

Vibrations