Geometry & MOs

Info

ID:

382167

PubChem CID:

134973140

Reduced:

NO2C21H38 (1)

Stoich.:

AB2C21D38 (1)

Weight, g/mol:

352.285169

ΔHf, kcal/mol:

-93.23

Dipole, Da:

6.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757077

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1(CCC(N1[O])(C)/C=C/C=O)C

DOS

IR

Vibrations