Geometry & MOs

Info

ID:

219892

PubChem CID:

85165015

Reduced:

CuN5H35C37 (1)

Stoich.:

AB5C35D37 (1)

Weight, g/mol:

612.218843

ΔHf, kcal/mol:

300.93

Dipole, Da:

8.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.627629

Charge, e:

 0

Chem-info

IUPAC name:

copper;4,9,10,15-tetraethyl-5,14-dimethyl-24,29,31-triaza-30,32-diazanidaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.020,25]dotriaconta-1(29),2,4,6,8(31),9,11,13,15,17,19(28),20(25),21,23,26-pentadecaene

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C6=C(C=CC7=C6C=CN=C7)C(=N5)C=C1[N-]2)CC)C)C(=C3CC)CC)C.[Cu+2]

DOS

IR

Vibrations