Geometry & MOs

Info

ID:	397314
PubChem CID:	135030028
Reduced:	NCl2O2F6H13C22 (1)
Stoich.:	AB2C2D6E13F22 (1)
Weight, g/mol:	334.081679
ΔH_f, kcal/mol:	-339.6
Dipole, Da:	5.44
IP(EA), eV:	-9.95(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,1-trifluoro-3-oxo-3-phenylpropan-2-yl) (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2Cl)C3=CC=CC=C3Cl)C(F)(F)F

DOS

IR

Vibrations