Geometry & MOs

Info

ID:	23608
PubChem CID:	605098
Reduced:	CuO4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	319.097056
ΔH_f, kcal/mol:	-121.66
Dipole, Da:	5.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758302
Charge, e:	0

Chem-info

IUPAC name:

copper;3-ethyl-4-hydroxypent-3-en-2-one

Drug info:

PubChemData

Smile

CCC(=C(C)O)C(=O)C.CCC(=C(C)O)C(=O)C.[Cu]

DOS

IR

Vibrations