Geometry & MOs

Info

ID:	158948
PubChem CID:	57244280
Reduced:	FN2O4C31H31 (1)
Stoich.:	AB2C4D31E31 (1)
Weight, g/mol:	171.014327
ΔH_f, kcal/mol:	-78.63
Dipole, Da:	2.42
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CC=CCOC(=O)CC4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations