Geometry & MOs

Info

ID:	432702
PubChem CID:	135172838
Reduced:	F3O8C39H43 (1)
Stoich.:	A3B8C39D43 (1)
Weight, g/mol:	261.097663
ΔH_f, kcal/mol:	-447.44
Dipole, Da:	1.59
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[N-methyl-3-(trifluoromethyl)anilino]acetate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCCCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations