Geometry & MOs

Info

ID:

48786

PubChem CID:

11528329

Reduced:

Co (1)

Stoich.:

A (1)

Weight, g/mol:

72.04611

ΔHf, kcal/mol:

91.13

Dipole, Da:

0.0

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.731429

Charge, e:

0

Chem-info

IUPAC name:

but-3-en-2-(18O)one

Drug info:

PubChemData

Smile

[59Co]

DOS

IR

Vibrations