Geometry & MOs

Info

ID:	384376
PubChem CID:	134976872
Reduced:	PO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	307.182692
ΔH_f, kcal/mol:	-127.73
Dipole, Da:	6.44
IP(EA), eV:	-8.24(0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations