Geometry & MOs

Info

ID:

381297

PubChem CID:

134971987

Reduced:

OH13C15 (1)

Stoich.:

AB13C15 (1)

Weight, g/mol:

346.065615

ΔHf, kcal/mol:

50.77

Dipole, Da:

3.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.951917

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C[CH]2

DOS

IR

Vibrations