Geometry & MOs

Info

ID:

408424

PubChem CID:

135081190

Reduced:

Cl2N3H7C9 (1)

Stoich.:

A2B3C7D9 (1)

Weight, g/mol:

588.200833

ΔHf, kcal/mol:

59.87

Dipole, Da:

0.52

IP(EA), eV:

-9.39(-0.94)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

nickel(2+);13,13,14,14,18,18,19,19-octamethyl-2,5,11,16,21,27,29,31-octaza-30,32-diazanidaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1,3,5,7,9,11,15(31),16,20,22(29),23(28),24,26-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=N2)C(Cl)Cl

DOS

IR

Vibrations