Geometry & MOs

Info

ID:	269245
PubChem CID:	103616548
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	315.092972
ΔH_f, kcal/mol:	-195.49
Dipole, Da:	5.3
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanedioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC#N)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations