Geometry & MOs

Info

ID:

407968

PubChem CID:

135080723

Reduced:

MgN16C32H48 (1)

Stoich.:

AB16C32D48 (1)

Weight, g/mol:

1496.470541

ΔHf, kcal/mol:

444.22

Dipole, Da:

16.33

IP(EA), eV:

 -6.76(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CN(C)C1=C(C2=NC3=NC(=NC4=C(C(=C([N-]4)N=C5C(=C(C(=N5)N=C1[N-]2)N(C)C)N(C)C)N(C)C)N(C)C)C(=C3N(C)C)N(C)C)N(C)C.[Mg+2]

DOS

IR

Vibrations