Geometry & MOs

Info

ID:

53400

PubChem CID:

14714911

Reduced:

MoO2C11H11 (1)

Stoich.:

AB2C11D11 (1)

Weight, g/mol:

84.057515

ΔHf, kcal/mol:

87.93

Dipole, Da:

4.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776248

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-penta-2,4-dien-2-ol

Drug info:

PubChemData

Smile

C=CC=C.[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Mo]

DOS

IR

Vibrations