Geometry & MOs

Info

ID:

407973

PubChem CID:

135080728

Reduced:

NiN10C30H30 (1)

Stoich.:

AB10C30D30 (1)

Weight, g/mol:

532.281141

ΔHf, kcal/mol:

471.39

Dipole, Da:

11.75

IP(EA), eV:

 -7.56(-3.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13,13,14,14,18,18,19,19-octamethyl-2,6,11,16,21,26,29,30,31,32-decazaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1,3,5,7,9,11,15(31),16,20(30),21,23(28),24,26-tridecaene

Drug info:

PubChemData

Smile

CC1(C2=NC3=NC(=NC4=C5C=NC=CC5=C([N-]4)N=C6C(C(C(=N6)N=C(C1(C)C)[N-]2)(C)C)(C)C)C7=C3C=CN=C7)C.[Ni+2]

DOS

IR

Vibrations