Geometry & MOs

Info

ID:	136113
PubChem CID:	51980013
Reduced:	F3O3H10C17 (1)
Stoich.:	A3B3C10D17 (1)
Weight, g/mol:	269.061397
ΔH_f, kcal/mol:	-157.98
Dipole, Da:	1.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788362
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations