Geometry & MOs

Info

ID:

405137

PubChem CID:

135072668

Reduced:

N2O4C16H25 (1)

Stoich.:

A2B4C16D25 (1)

Weight, g/mol:

432.178418

ΔHf, kcal/mol:

-104.47

Dipole, Da:

7.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758640

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCC=C=CC(C)CO/C(=C(/C(=O)OCC)\[N+]#N)/O

DOS

IR

Vibrations