Geometry & MOs

Info

ID:	404460
PubChem CID:	135066416
Reduced:	CuO4N12C56H56 (1)
Stoich.:	AB4C12D56E56 (1)
Weight, g/mol:	962.470398
ΔH_f, kcal/mol:	609.18
Dipole, Da:	13.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 7.914108
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC1(C2=CC3=C4[N-]C(=C3C=C2C(N1[O])(C)C)N=C5C6=CC7=C(C=C6C(=N5)N=C8C9=CC1=C(C=C9C(=NC2=NC(=N4)C3=CC4=C(C=C32)C(N(C4(C)C)[O])(C)C)[N-]8)C(N(C1(C)C)[O])(C)C)C(N(C7(C)C)[O])(C)C)C.[Cu+2]

DOS

IR

Vibrations