Geometry & MOs

Info

ID:

407970

PubChem CID:

135080725

Reduced:

N8O14H70C89 (1)

Stoich.:

A8B14C70D89 (1)

Weight, g/mol:

581.133482

ΔHf, kcal/mol:

195.14

Dipole, Da:

3.48

IP(EA), eV:

 -7.97(-2.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);22,22,23,23-tetramethyl-2,6,11,15,20,25,30,34,36-nonaza-33,35-diazanidaoctacyclo[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

COC1=CC=C(C=C1)OC2=CC3=C4NC(=C3C=C2OC5=CC=C(C=C5)OC)N=C6C7=C(C=CC(=C7)OCC8=CC=C(C=C8)OCC9CC1CC9C=C1)C(=N6)N=C1C2=CC(=C(C=C2C(=NC2=NC(=N4)C3=CC(=C(C=C32)OC2=CC=C(C=C2)OC)OC2=CC=C(C=C2)OC)N1)OC1=CC=C(C=C1)OC)OC1=CC=C(C=C1)OC

DOS

IR

Vibrations