Geometry & MOs

Info

ID:

384818

PubChem CID:

134977732

Reduced:

ClPtP2H42C46 (2)

Stoich.:

ABC2D42E46 (2)

Weight, g/mol:

172.088815

ΔHf, kcal/mol:

673.24

Dipole, Da:

3.54

IP(EA), eV:

 -6.97(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[C-]#CC#CC#CC#[C-].Cl[Pt+].Cl[Pt+]

DOS

IR

Vibrations