Geometry & MOs

Info

ID:

392296

PubChem CID:

135014262

Reduced:

ON4H23C26 (1)

Stoich.:

AB4C23D26 (1)

Weight, g/mol:

234.117352

ΔHf, kcal/mol:

99.67

Dipole, Da:

0.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.214432

Charge, e:

 0

Chem-info

IUPAC name:

3-[dimethyl(phenyl)phosphaniumyl]cyclohexen-1-olate

Drug info:

PubChemData

Smile

C1COCC[N+]1=CC2=CC=C(C=C2)C3=CC(=NC(=C3)C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations