Geometry & MOs

Info

ID:	411679
PubChem CID:	135084513
Reduced:	CuO2N3H19C25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	672.191505
ΔH_f, kcal/mol:	87.27
Dipole, Da:	5.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.976395
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=NC(=CC=C4)C5=N[C@@H]6[C@H](O5)CC7=CC=CC=C67.[Cu]

DOS

IR

Vibrations