Geometry & MOs

Info

ID:

408303

PubChem CID:

135081067

Reduced:

N3H11C13 (4)

Stoich.:

A3B11C13 (4)

Weight, g/mol:

1556.97296

ΔHf, kcal/mol:

446.97

Dipole, Da:

7.08

IP(EA), eV:

 -7.95(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

copper;5,8,14,17,32,35-hexakis-decoxy-24-nitro-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),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C3=NC2=NC4=NC(=NC5=NC(=NC6=NC(=N3)C7=C6C=CC(=C7)C(C)(C)C)C8=C5NC9=C1C=CC=NC1=C1C(=C9N8)C=CC=N1)C1=C4C=CC(=C1)C(C)(C)C

DOS

IR

Vibrations