Geometry & MOs

Info

ID:	251690
PubChem CID:	103106036
Reduced:	F2O2N3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	4.87
IP(EA), eV:	-10.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(methylcarbamoylamino)-2-oxoethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=C(C=CC=C2F)F)C(=O)OC

DOS

IR

Vibrations