Geometry & MOs

Info

ID:	251667
PubChem CID:	103105799
Reduced:	F2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	1.78
IP(EA), eV:	-10.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC(C2=CC=CC=C2)(F)F)C(=O)OC

DOS

IR

Vibrations