Geometry & MOs

Info

ID:

51176

PubChem CID:

12013810

Reduced:

NOH21C25 (2)

Stoich.:

ABC21D25 (2)

Weight, g/mol:

733.226522

ΔHf, kcal/mol:

92.81

Dipole, Da:

7.06

IP(EA), eV:

 -7.94(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt;(3Z)-1-naphthalen-1-yl-3-[[[(1R,2R)-2-[[(E)-(4-naphthalen-1-yl-3-oxonaphthalen-2-ylidene)methyl]amino]cyclohexyl]amino]methylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C3=C4C=CC=CC4=C/C(=C\N[C@@H]5CCCC[C@H]5N/C=C\6/C=C7C=CC=CC7=C(C6=O)C8=C(C=CC9=CC=CC=C98)C)/C3=O

DOS

IR

Vibrations