Geometry & MOs

Info

ID:

380290

PubChem CID:

134970698

Reduced:

N2O4C29H29 (1)

Stoich.:

A2B4C29D29 (1)

Weight, g/mol:

470.220557

ΔHf, kcal/mol:

37.43

Dipole, Da:

4.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760243

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C(C(/C=C\2/C=CN=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)[O-]

DOS

IR

Vibrations