Geometry & MOs

Info

ID:

412529

PubChem CID:

135085424

Reduced:

PH27C48 (1)

Stoich.:

AB27C48 (1)

Weight, g/mol:

517.054516

ΔHf, kcal/mol:

184.57

Dipole, Da:

1.25

IP(EA), eV:

 -8.11(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

nickel(2+);nickel(3+);2-[3-[[5-[(3-pyridin-2-yl-2H-imidazol-2-id-1-yl)methyl]pyrazol-1-id-3-yl]methyl]-2H-imidazol-2-id-1-yl]pyridine;hydrate

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)P(C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

DOS

IR

Vibrations