Geometry & MOs

Info

ID:	381483
PubChem CID:	134972238
Reduced:	PO2C22H36 (1)
Stoich.:	AB2C22D36 (1)
Weight, g/mol:	363.245292
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	7.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938336
Charge, e:	1

Chem-info

IUPAC name:

tributyl-[(E)-3-methoxy-3-oxo-1-phenylprop-1-enyl]phosphanium

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)C(=C=C(O)OC)C1=CC=CC=C1

DOS

IR

Vibrations