Geometry & MOs

Info

ID:

408306

PubChem CID:

135081071

Reduced:

NiN10C30H30 (1)

Stoich.:

AB10C30D30 (1)

Weight, g/mol:

532.281141

ΔHf, kcal/mol:

481.17

Dipole, Da:

28.04

IP(EA), eV:

 -7.38(-2.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5,18,18,19,19-octamethyl-2,7,10,16,21,24,29,30,31,32-decazaheptacyclo[20.6.1.13,6.18,15.117,20.09,14.023,28]dotriaconta-1(28),2,6(32),7,9(14),10,12,15,17(30),20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

CC1(C2=NC3=C4C=CC=NC4=C([N-]3)N=C5C(C(C(=N5)N=C6C7=C(C(=NC(=N2)C1(C)C)[N-]6)N=CC=C7)(C)C)(C)C)C.[Ni+2]

DOS

IR

Vibrations