Geometry & MOs

Info

ID:	136114
PubChem CID:	51980014
Reduced:	FO3H10C16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	335.053118
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786654
Charge, e:	-1

Chem-info

IUPAC name:

4-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)C(=O)[O-])F

DOS

IR

Vibrations