Geometry & MOs

Info

ID:

398891

PubChem CID:

135036093

Reduced:

ClNC7H7 (1)

Stoich.:

ABC7D7 (1)

Weight, g/mol:

498.151369

ΔHf, kcal/mol:

23.04

Dipole, Da:

3.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.078919

Charge, e:

 0

Chem-info

IUPAC name:

2,6-bis(diphenylphosphoryl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[CH-]N)Cl

DOS

IR

Vibrations