Geometry & MOs

Info

ID:	251702
PubChem CID:	103106149
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	5.6
IP(EA), eV:	-10.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CN=CC=C2)C(=O)OCC

DOS

IR

Vibrations