Geometry & MOs

Info

ID:

84571

PubChem CID:

49867983

Reduced:

CoO2N7C23H40 (1)

Stoich.:

AB2C7D23E40 (1)

Weight, g/mol:

464.070588

ΔHf, kcal/mol:

-52.84

Dipole, Da:

25.37

IP(EA), eV:

 -10.23(-3.43)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

dioxidanium;[1-carboxy-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-1,2,3,6-tetrahydropyridin-4-yl]methylideneamino]propan-2-yl] phosphate;nickel(2+);hydrate

Drug info:

PubChemData

Smile

CC1=NN(C2CCC3CCC4CCC([N-]C4C3[N-]2)N(N=C(C5C=CCC1[N-]5)C)C)C.O.O.[Co+2]

DOS

IR

Vibrations