Geometry & MOs

Info

ID:

408650

PubChem CID:

135081418

Reduced:

NO2C13H24 (1)

Stoich.:

AB2C13D24 (1)

Weight, g/mol:

391.134733

ΔHf, kcal/mol:

-109.29

Dipole, Da:

1.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898485

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(C)C([CH]C=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations