Geometry & MOs

Info

ID:	408192
PubChem CID:	135080953
Reduced:	ZnN8O8C176H232 (1)
Stoich.:	AB8C8D176E232 (1)
Weight, g/mol:	2588.818321
ΔH_f, kcal/mol:	-189.89
Dipole, Da:	11.38
IP(EA), eV:	-8.22(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCCCCCCCCCCCOC1=CC2=C(C=C1)C3=CC4=C(C=C3C5=C2C=C(C=C5)OCCCCCCCCCCCC)C6=NC7=NC(=NC8=C9C=C1C2=C(C=C(C=C2)OCCCCCCCCCCCC)C2=C(C1=CC9=C([N-]8)N=C1C3=C(C=C5C8=C(C=C(C=C8)OCCCCCCCCCCCC)C8=C(C5=C3)C=CC(=C8)OCCCCCCCCCCCC)C(=N1)N=C4[N-]6)C=CC(=C2)OCCCCCCCCCCCC)C1=C7C=C2C3=C(C=C(C=C3)OCCCCCCCCCCCC)C3=C(C2=C1)C=CC(=C3)OCCCCCCCCCCCC.[Zn+2]

DOS

IR

Vibrations