Geometry & MOs

Info

ID:	380289
PubChem CID:	134970697
Reduced:	PN2O5C41H58 (1)
Stoich.:	AB2C5D41E58 (1)
Weight, g/mol:	469.212732
ΔH_f, kcal/mol:	-174.98
Dipole, Da:	7.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756045
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-1,3,4-tris(phenylmethoxy)-5-pyrazol-3-ylidenepentan-2-olate

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)O[C@@H](C1=CC=NN1)C(C(C(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations