Geometry & MOs

Info

ID:

412681

PubChem CID:

135085595

Reduced:

BPF2H9C12 (1)

Stoich.:

ABC2D9E12 (1)

Weight, g/mol:

256.0381

ΔHf, kcal/mol:

69.83

Dipole, Da:

4.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754499

Charge, e:

 0

Chem-info

IUPAC name:

1-(cyclohexen-1-yl)ethenyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[B][PH+](C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

DOS

IR

Vibrations