Geometry & MOs

Info

ID:	440854
PubChem CID:	135231868
Reduced:	O3F5N5H18C21 (1)
Stoich.:	A3B5C5D18E21 (1)
Weight, g/mol:	245.051107
ΔH_f, kcal/mol:	-225.05
Dipole, Da:	5.56
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-2-[2-(trifluoromethylperoxy)ethylamino]acetate

Drug info:

PubChemData

Smile

CC(=NCC1=NC(=NO1)C2=CC=C(C=C2)OC(F)(F)F)N(CC3=CC(=CC=C3)OC(F)F)N=C

DOS

IR

Vibrations