Geometry & MOs

Info

ID:

381296

PubChem CID:

134971984

Reduced:

OH13C18 (1)

Stoich.:

AB13C18 (1)

Weight, g/mol:

209.09664

ΔHf, kcal/mol:

77.97

Dipole, Da:

3.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.262597

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)/C=C/C3=CC=C[CH]3

DOS

IR

Vibrations