Geometry & MOs

Info

ID:

125724

PubChem CID:

50935505

Reduced:

NC19H26 (1)

Stoich.:

AB19C26 (1)

Weight, g/mol:

385.132622

ΔHf, kcal/mol:

67.49

Dipole, Da:

5.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.001816

Charge, e:

 0

Chem-info

IUPAC name:

cobalt;6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

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C[C@]12C[C@@H](CC(C1)(C)C)[NH+](C2)CC#CC3=CC=CC=C3

DOS

IR

Vibrations