Geometry & MOs

Info

ID:	384934
PubChem CID:	134977989
Reduced:	PO2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	335.213992
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	9.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756654
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-acetyl-3-hydroxy-1-phenylbut-2-enyl]-butyl-diethylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations