Geometry & MOs

Info

ID:	257555
PubChem CID:	103146996
Reduced:	N2O2F3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	314.074149
ΔH_f, kcal/mol:	-213.25
Dipole, Da:	2.89
IP(EA), eV:	-9.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-(trifluoromethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations