Geometry & MOs

Info

ID:	180495
PubChem CID:	76643335
Reduced:	NiO3C7H12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	249.055192
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	1.9
IP(EA), eV:	-7.59(-3.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;5-hydroxy-6-propan-2-yloxyhept-4-en-3-one

Drug info:

PubChemData

Smile

CC(C(=CC(=O)C)O)OC.[Ni]

DOS

IR

Vibrations