Geometry & MOs

Info

ID:

21025

PubChem CID:

586826

Reduced:

OH7C8 (1)

Stoich.:

AB7C8 (1)

Weight, g/mol:

119.04969

ΔHf, kcal/mol:

65.94

Dipole, Da:

1.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.880323

Charge, e:

 -5

Chem-info

IUPAC name:

1-cyclopentylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C#CC([C-]1[CH-][CH-][CH-][CH-]1)O

DOS

IR

Vibrations