Geometry & MOs

Info

ID:	252058
PubChem CID:	103108795
Reduced:	ClO3N4C11H13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	260.067618
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	3.09
IP(EA), eV:	-10.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1-amino-1-oxopropan-2-yl)-5-(chloromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations