Geometry & MOs

Info

ID:

405151

PubChem CID:

135072788

Reduced:

N2O4C16H25 (1)

Stoich.:

A2B4C16D25 (1)

Weight, g/mol:

196.125201

ΔHf, kcal/mol:

-106.94

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.773192

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC(=C=CCCO/C(=C(/C(=O)OCC)\[N+]#N)/O)CCC

DOS

IR

Vibrations