Geometry & MOs

Info

ID:

407972

PubChem CID:

135080727

Reduced:

N11H23C29 (1)

Stoich.:

A11B23C29 (1)

Weight, g/mol:

588.200833

ΔHf, kcal/mol:

304.48

Dipole, Da:

5.38

IP(EA), eV:

 -8.22(-2.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);13,13,14,14,18,18,19,19-octamethyl-2,6,11,16,21,26,29,31-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

CC1(C2=NC3=C4C=CN=CC4=C(N3)N=C5C6=C(C=CN=C6)C(=N5)N=C7C8=C(C=CN=C8)C(=NC(=N2)C1(C)C)N7)C

DOS

IR

Vibrations