Geometry & MOs

Info

ID:

214788

PubChem CID:

85083641

Reduced:

PCl6N6O6C14H19 (1)

Stoich.:

AB6C6D6E14F19 (1)

Weight, g/mol:

608.172218

ΔHf, kcal/mol:

-301.12

Dipole, Da:

6.47

IP(EA), eV:

 -10.31(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);phenyl-[3,5,14,16-tetramethyl-15-[oxido(phenyl)methylidene]-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,5,7,9,11,13,16,18,20-decaen-4-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CNP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N=[N+]=[N-]

DOS

IR

Vibrations