Geometry & MOs

Info

ID:

232205

PubChem CID:

87575708

Reduced:

O2H21C31 (1)

Stoich.:

A2B21C31 (1)

Weight, g/mol:

448.235492

ΔHf, kcal/mol:

87.46

Dipole, Da:

3.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.455614

Charge, e:

 0

Chem-info

IUPAC name:

dibutyl hydrogen phosphate;dipentyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C3C=CC(=C[O-])C=C3)C=C2C4=CC=C(C=C4)C=O)C5=CC=CC=C5

DOS

IR

Vibrations