Geometry & MOs

Info

ID:

382168

PubChem CID:

134973141

Reduced:

NO3C21H38 (1)

Stoich.:

AB3C21D38 (1)

Weight, g/mol:

354.300819

ΔHf, kcal/mol:

-151.59

Dipole, Da:

6.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757016

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations