Geometry & MOs

Info

ID:

404195

PubChem CID:

135065380

Reduced:

ZnN8C192H232 (1)

Stoich.:

AB8C192D232 (1)

Weight, g/mol:

2653.862359

ΔHf, kcal/mol:

332.64

Dipole, Da:

6.82

IP(EA), eV:

 -7.2(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC2=C3C(=C4C=C(C5=CC=CC6=C7C=CC=C1C7=C2C4=C65)CCCCCCCCCCCC)C8=NC9=NC(=NC1=C2C4=C5C6=C(C=CC=C6C(=C4)CCCCCCCCCCCC)C4=C6C5=C(C2=C([N-]1)N=C1C2=C5C=C(C7=CC=CC%10=C%11C=CC=C%12C%11=C(C5=C%107)C(=C2C(=N1)N=C3[N-]8)C=C%12CCCCCCCCCCCC)CCCCCCCCCCCC)C=C(C6=CC=C4)CCCCCCCCCCCC)C1=C2C=C(C3=CC=CC4=C5C=CC=C6C5=C(C2=C43)C(=C19)C=C6CCCCCCCCCCCC)CCCCCCCCCCCC.[Zn+2]

DOS

IR

Vibrations