Geometry & MOs

Info

ID:	251669
PubChem CID:	103105816
Reduced:	FO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	3.96
IP(EA), eV:	-10.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(cyclopropylamino)-3-oxopropyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations