Geometry & MOs

Info

ID:

381299

PubChem CID:

134971989

Reduced:

O2H13C15 (1)

Stoich.:

A2B13C15 (1)

Weight, g/mol:

360.04488

ΔHf, kcal/mol:

16.72

Dipole, Da:

4.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.991282

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)/C=C/C2=C[CH]C=C2

DOS

IR

Vibrations