Geometry & MOs

Info

ID:	410667
PubChem CID:	135083468
Reduced:	C3O3H4F6 (1)
Stoich.:	A3B3C4D6 (1)
Weight, g/mol:	332.11207
ΔH_f, kcal/mol:	-392.8
Dipole, Da:	2.33
IP(EA), eV:	-10.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,2,4-triazole-1-carboperoxoic acid

Drug info:

PubChemData

Smile

C(C(F)(F)F)(C(F)(F)F)O.OO

DOS

IR

Vibrations