Geometry & MOs

Info

ID:	380288
PubChem CID:	134970696
Reduced:	PN2O5C41H57 (1)
Stoich.:	AB2C5D41E57 (1)
Weight, g/mol:	689.408335
ΔH_f, kcal/mol:	-174.34
Dipole, Da:	6.06
IP(EA), eV:	-8.27(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tributyl-[(1S)-4-hydroxy-2,3,5-tris(phenylmethoxy)-1-(1H-pyrazol-5-yl)pentoxy]phosphanium

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)O[C@@H](C1=N[N-]C=C1)C(C(C(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations