Geometry & MOs

Info

ID:

399932

PubChem CID:

135043920

Reduced:

INH5C6 (1)

Stoich.:

ABC5D6 (1)

Weight, g/mol:

272.062441

ΔHf, kcal/mol:

87.35

Dipole, Da:

2.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.022060

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-3,3,4,4,4-pentafluorobut-1-enyl]naphthalene

Drug info:

PubChemData

Smile

C1=CC(=C(C=[C+]1)I)N

DOS

IR

Vibrations