Geometry & MOs

Info

ID:

407971

PubChem CID:

135080726

Reduced:

NiN11H21C29 (1)

Stoich.:

AB11C21D29 (1)

Weight, g/mol:

525.21379

ΔHf, kcal/mol:

587.63

Dipole, Da:

6.51

IP(EA), eV:

 -8.06(-2.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22,22,23,23-tetramethyl-2,6,11,15,20,25,30,33,34,35,36-undecazaoctacyclo[24.6.1.13,10.112,19.121,24.04,9.013,18.027,32]hexatriaconta-1(32),2,4(9),5,7,10(36),11,13(18),14,16,19,21(34),24,26,28,30-hexadecaene

Drug info:

PubChemData

Smile

CC1(C2=NC3=C4C=CN=CC4=C([N-]3)N=C5C6=C(C=CN=C6)C(=N5)N=C7C8=C(C=CN=C8)C(=NC(=N2)C1(C)C)[N-]7)C.[Ni+2]

DOS

IR

Vibrations