Geometry & MOs

Info

ID:

387195

PubChem CID:

134984365

Reduced:

PC28H28 (1)

Stoich.:

AB28C28 (1)

Weight, g/mol:

248.190517

ΔHf, kcal/mol:

79.42

Dipole, Da:

13.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.878743

Charge, e:

 0

Chem-info

IUPAC name:

heptyl(hexyl)phosphinic acid

Drug info:

PubChemData

Smile

CCC1C([P+](CC2=C1C=CC3=CC=CC=C23)(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations