Geometry & MOs

Info

ID:	408377
PubChem CID:	135081143
Reduced:	ZnN8O16C176H232 (1)
Stoich.:	AB8C16D176E232 (1)
Weight, g/mol:	2716.777638
ΔH_f, kcal/mol:	-199.48
Dipole, Da:	14.74
IP(EA), eV:	-7.16(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCCCCCOC1=C(C=C2C(=C1)C3=CC4=C(C=C3C5=CC(=C(C=C52)OCCCCCC)OCCCCCC)C6=NC7=NC(=NC8=C9C=C1C(=CC9=C([N-]8)N=C2C3=C(C=C5C(=C3)C3=CC(=C(C=C3C3=CC(=C(C=C53)OCCCCCC)OCCCCCC)OCCCCCC)OCCCCCC)C(=N2)N=C4[N-]6)C2=CC(=C(C=C2C2=CC(=C(C=C12)OCCCCCC)OCCCCCC)OCCCCCC)OCCCCCC)C1=C7C=C2C(=C1)C1=CC(=C(C=C1C1=CC(=C(C=C21)OCCCCCC)OCCCCCC)OCCCCCC)OCCCCCC)OCCCCCC.[Zn+2]

DOS

IR

Vibrations