Geometry & MOs

Info

ID:	251707
PubChem CID:	103106193
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	3.17
IP(EA), eV:	-9.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(carbamoylamino)-3-oxopropyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC(=O)N2CCCC2)C(=O)OCC

DOS

IR

Vibrations