Geometry & MOs

Info

ID:

381956

PubChem CID:

134972830

Reduced:

N2O3C16H17 (1)

Stoich.:

A2B3C16D17 (1)

Weight, g/mol:

679.032859

ΔHf, kcal/mol:

-20.07

Dipole, Da:

5.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760731

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CCC=C=CC1=CC=CC=C1)\O)/[N+]#N

DOS

IR

Vibrations