Geometry & MOs

Info

ID:

383141

PubChem CID:

134974702

Reduced:

PO4C9H18 (1)

Stoich.:

AB4C9D18 (1)

Weight, g/mol:

425.197751

ΔHf, kcal/mol:

-219.99

Dipole, Da:

4.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758932

Charge, e:

 1

Chem-info

IUPAC name:

1,3'-dibenzyl-1',3-dimethylspiro[imidazol-1-ium-4,4'-quinazoline]-2,2'-dione

Drug info:

PubChemData

Smile

CCO[P+](=O)CCC(=O)OC(C)(C)C

DOS

IR

Vibrations