Geometry & MOs

Info

ID:

384910

PubChem CID:

134977926

Reduced:

NCo2O9H13C24 (1)

Stoich.:

AB2C9D13E24 (1)

Weight, g/mol:

291.089543

ΔHf, kcal/mol:

-220.33

Dipole, Da:

35.86

IP(EA), eV:

 -9.61(-5.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (12Z)-17-oxo-8-azatricyclo[7.7.1.02,7]heptadeca-2,4,6,12-tetraen-10,14-diyne-8-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1C2C#C/C=C\C#CCC(C2=O)C3=CC=CC=C31.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

DOS

IR

Vibrations