Geometry & MOs

Info

ID:	384192
PubChem CID:	134976504
Reduced:	PO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	349.229642
ΔH_f, kcal/mol:	-142.54
Dipole, Da:	8.95
IP(EA), eV:	-8.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-2-acetyl-3-hydroxy-1-phenylbut-2-enyl]-dibutyl-methylphosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations