Geometry & MOs

Info

ID:

397769

PubChem CID:

135030707

Reduced:

O2H13C14 (1)

Stoich.:

A2B13C14 (1)

Weight, g/mol:

130.086804

ΔHf, kcal/mol:

-23.64

Dipole, Da:

2.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.884225

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(=O)[C@H]2C=C(O[C]2C1)C3=CC=CC=C3

DOS

IR

Vibrations