Geometry & MOs

Info

ID:	125377
PubChem CID:	50921511
Reduced:	CuSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	459.152949
ΔH_f, kcal/mol:	122.31
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.416702
Charge, e:	2

Chem-info

IUPAC name:

copper;dioxidanium;N-methyl-5-piperidin-1-id-2-yl-1,3,4-oxadiazol-2-amine;N-methyl-5-(2H-pyridin-1-id-6-yl)-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C=NNC(=S)N(C)CCC2=CC=CC=N2.[Cu+2]

DOS

IR

Vibrations