Geometry & MOs

Info

ID:

381303

PubChem CID:

134971993

Reduced:

ClOH10C14 (1)

Stoich.:

ABC10D14 (1)

Weight, g/mol:

266.154489

ΔHf, kcal/mol:

51.14

Dipole, Da:

3.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.948065

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations