Geometry & MOs

Info

ID:

432783

PubChem CID:

135172920

Reduced:

Cl2N7C19H20 (1)

Stoich.:

A2B7C19D20 (1)

Weight, g/mol:

536.194737

ΔHf, kcal/mol:

147.72

Dipole, Da:

6.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.821139

Charge, e:

 0

Chem-info

IUPAC name:

3'-methylidene-1-[(3Z,5E)-8-(4'-methylidene-2,5'-dioxospiro[indole-3,2'-oxolane]-1-yl)octa-3,5-dienyl]spiro[indole-3,5'-oxolane]-2,2'-dione

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1N=NC2=CC(=C(C=C2)N=NC3=CC(=C(C=C3)N(C)C)Cl)Cl)C

DOS

IR

Vibrations