Geometry & MOs

Info

ID:	253030
PubChem CID:	103115599
Reduced:	F2O2N5C9H9 (1)
Stoich.:	A2B2C5D9E9 (1)
Weight, g/mol:	292.092003
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	3.14
IP(EA), eV:	-9.96(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylimidazol-4-yl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2CC(F)F)C(=O)O

DOS

IR

Vibrations