Geometry & MOs

Info

ID:

381189

PubChem CID:

134971844

Reduced:

O3N4C10H10 (1)

Stoich.:

A3B4C10D10 (1)

Weight, g/mol:

535.188565

ΔHf, kcal/mol:

-2.76

Dipole, Da:

1.43

IP(EA), eV:

 -9.18(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(Z)-[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-(2-diphenylphosphanylcyclopenta-2,4-dien-1-ylidene)methanolate

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)/C=C(/C(=O)OC)\N=[N+]=[N-]

DOS

IR

Vibrations