Geometry & MOs

Info

ID:	251698
PubChem CID:	103106122
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	5.19
IP(EA), eV:	-10.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations