Geometry & MOs

Info

ID:	252983
PubChem CID:	103115299
Reduced:	F2O2N5C10H11 (1)
Stoich.:	A2B2C5D10E11 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	5.55
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-amino-1-oxobutan-2-yl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CC(F)F)C(=O)OC

DOS

IR

Vibrations