Geometry & MOs

Info

ID:

408410

PubChem CID:

135081176

Reduced:

ON3C10H18 (1)

Stoich.:

AB3C10D18 (1)

Weight, g/mol:

257.957457

ΔHf, kcal/mol:

-1.21

Dipole, Da:

7.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.814488

Charge, e:

 -1

Chem-info

IUPAC name:

carbon monoxide;cobalt;3-hydroxybutan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC/C(=C/[N+]#N)/O

DOS

IR

Vibrations