Geometry & MOs

Info

ID:

229031

PubChem CID:

87566810

Reduced:

N7O8C51H61 (1)

Stoich.:

A7B8C51D61 (1)

Weight, g/mol:

428.14438

ΔHf, kcal/mol:

-266.17

Dipole, Da:

14.83

IP(EA), eV:

 -8.09(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;carbanide;palladium(2+)

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C2=CC=C(C=C2)CN(CC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](C5=CC=CC=C5)NC(=O)[C@@H]6CCCO6)C7=CC=CC=C7)NC(=O)OC

DOS

IR

Vibrations