Geometry & MOs

Info

ID:

409494

PubChem CID:

135082276

Reduced:

C9H17 (1)

Stoich.:

A9B17 (1)

Weight, g/mol:

251.956662

ΔHf, kcal/mol:

-2.57

Dipole, Da:

0.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.899673

Charge, e:

 0

Chem-info

IUPAC name:

dipotassium;[4-(trifluoromethyl)benzene-5-id-1-yl]methanolate

Drug info:

PubChemData

Smile

CCCCCC/C=C\[CH2]

DOS

IR

Vibrations