Geometry & MOs

Info

ID:	384936
PubChem CID:	134977992
Reduced:	PO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	355.182692
ΔH_f, kcal/mol:	-77.7
Dipole, Da:	7.23
IP(EA), eV:	-7.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-acetyl-3-hydroxy-1-phenylbut-2-enyl]-diethyl-phenylphosphanium

Drug info:

PubChemData

Smile

CC[P+](CC)(C1=CC=CC=C1)C(C2=CC=CC=C2)/C(=C(/C)\[O-])/C(=O)C

DOS

IR

Vibrations