Geometry & MOs

Info

ID:	398728
PubChem CID:	135035113
Reduced:	PF3O3H16C21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	165.08691
ΔH_f, kcal/mol:	-240.58
Dipole, Da:	4.74
IP(EA), eV:	-9.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trideuteriomethyl (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(CC(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations