Geometry & MOs

Info

ID:

159491

PubChem CID:

57288197

Reduced:

PO6C14H14 (1)

Stoich.:

AB6C14D14 (1)

Weight, g/mol:

246.16198

ΔHf, kcal/mol:

-234.48

Dipole, Da:

1.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.084749

Charge, e:

 0

Chem-info

IUPAC name:

4-non-1-enylbenzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=CC=C(C=C2)C(=O)[P+](O)(O)O

DOS

IR

Vibrations