Geometry & MOs

Info

ID:	384380
PubChem CID:	134976878
Reduced:	NPO3C28H40 (1)
Stoich.:	ABC3D28E40 (1)
Weight, g/mol:	470.282406
ΔH_f, kcal/mol:	-152.52
Dipole, Da:	10.8
IP(EA), eV:	-8.58(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tributyl-[(Z)-3-hydroxy-2-methoxycarbonyl-1-phenyl-3-pyridin-4-ylprop-2-enyl]phosphanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations