Geometry & MOs

Info

ID:

229976

PubChem CID:

87569766

Reduced:

O8C29H32 (2)

Stoich.:

A8B29C32 (2)

Weight, g/mol:

301.09551

ΔHf, kcal/mol:

-306.28

Dipole, Da:

5.02

IP(EA), eV:

 -8.76(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-[(Z)-3-[methyl(perchloryloxymethyl)amino]-2-phenylprop-2-enylidene]azanium

Drug info:

PubChemData

Smile

C1C(O1)COC2=C(C(=CC=C2)OCC3CO3)C45CC6(CC(C4)(CC(C5)(C6)C7=C(C=CC=C7OCC8CO8)OCC9CO9)C1=C(C=CC=C1OCC1CO1)OCC1CO1)C1=C(C=CC=C1OCC1CO1)OCC1CO1

DOS

IR

Vibrations