Geometry & MOs

Info

ID:

226396

PubChem CID:

87351857

Reduced:

O20C123H140 (1)

Stoich.:

A20B123C140 (1)

Weight, g/mol:

675.91599

ΔHf, kcal/mol:

-735.38

Dipole, Da:

4.53

IP(EA), eV:

 -8.08(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diiodo-1-(4-methylphenyl)methanamine;(1-ethenyl-3-methylimidazol-2-ylidene)platinum

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)OC)C(C2=C(C=C(C(=C2)C)O)C)C3=C(C=C(C(=C3)C)O)C)C4(CCC(CC4)C(C)(C)C5CCC(CC5)(C6=CC(=C(C(=C6)C)OCC(=O)OC)C(C7=C(C=C(C(=C7)C)O)C)C8=C(C=C(C(=C8)C)O)C)C9=CC(=C(C(=C9)C)OCC(=O)OC)C(C1=C(C=C(C(=C1)C)O)C)C1=C(C=C(C(=C1)C)O)C)C1=CC(=C(C(=C1)C)OCC(=O)OC)C(C1=C(C=C(C(=C1)C)O)C)C1=C(C=C(C(=C1)C)O)C

DOS

IR

Vibrations