Geometry & MOs

Info

ID:

45258

PubChem CID:

10510220

Reduced:

NOC12H15 (4)

Stoich.:

ABC12D15 (4)

Weight, g/mol:

1022.454382

ΔHf, kcal/mol:

-8.94

Dipole, Da:

20.68

IP(EA), eV:

 -3.56(-2.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cobalt(2+);(2E)-2-[(3-ethyl-4-methylpyrrol-1-id-2-yl)methylidene]-4-[2-[5-[(E)-(3-ethyl-4-methylpyrrol-2-ylidene)methyl]-2,4-dimethylpyrrol-1-id-3-yl]ethyl]-3,5-dimethylpyrrole

Drug info:

PubChemData

Smile

CC1=[N+](C2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC(=CC(=C5)OC)OC)C)CC6=CC(=CC(=C6)OC)OC

DOS

IR

Vibrations