Geometry & MOs

Info

ID:

410054

PubChem CID:

135082843

Reduced:

ZnN4H32C44 (1)

Stoich.:

AB4C32D44 (1)

Weight, g/mol:

946.300264

ΔHf, kcal/mol:

359.99

Dipole, Da:

4.56

IP(EA), eV:

 -8.5(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetramethyl 2,11,16,21-tetraphenyl-29,30,31,32-tetrazaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(29),2,4(9),5,7,10(32),11,13,15,17,19,21,23(28),24,26-pentadecaene-5,6,24,25-tetracarboxylate

Drug info:

PubChemData

Smile

C1CC2=NC1=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)CC3)C9=CC=CC=C9.[Zn+2]

DOS

IR

Vibrations