Geometry & MOs

Info

ID:

386259

PubChem CID:

134981225

Reduced:

O2C9H13 (1)

Stoich.:

A2B9C13 (1)

Weight, g/mol:

502.85963

ΔHf, kcal/mol:

-80.06

Dipole, Da:

4.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.873234

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(C(=O)O[C]1C)CC

DOS

IR

Vibrations