Geometry & MOs

Info

ID:	380287
PubChem CID:	134970695
Reduced:	PO2N4C18H40 (1)
Stoich.:	AB2C4D18E40 (1)
Weight, g/mol:	688.40051
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	1.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767164
Charge, e:	0

Chem-info

IUPAC name:

tributyl-[(1S)-4-hydroxy-2,3,5-tris(phenylmethoxy)-1-pyrazol-1-id-3-ylpentoxy]phosphanium

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)N(C(=O)N(C)C)NC(=O)N(C)C

DOS

IR

Vibrations