Geometry & MOs

Info

ID:

411918

PubChem CID:

135084774

Reduced:

NOC22H36 (2)

Stoich.:

ABC22D36 (2)

Weight, g/mol:

930.440222

ΔHf, kcal/mol:

-169.4

Dipole, Da:

7.54

IP(EA), eV:

 -7.89(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-2,4-ditert-butyl-6-[[[3-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2,3-dimethylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one;ruthenium;triphenylphosphane;hydrate

Drug info:

PubChemData

Smile

CC(CCC1=C/C(=C/NC(C(N/C=C/2\C(=O)C(=CC(=C2)CCC(C)(C)C)CCC(C)(C)C)(C)C)(C)C)/C(=O)C(=C1)CCC(C)(C)C)(C)C

DOS

IR

Vibrations