Geometry & MOs

Info

ID:	393896
PubChem CID:	135021923
Reduced:	ClFO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	326.143567
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	2.83
IP(EA), eV:	-9.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-3-diphenylphosphaniumyl-1-[(2-methylpropan-2-yl)oxy]buta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C(=C/C2=CC=C(C=C2)C(=O)OC)/Cl)F

DOS

IR

Vibrations