Geometry & MOs

Info

ID:	125615
PubChem CID:	50930086
Reduced:	CoN4O4C20H30 (1)
Stoich.:	AB4C4D20E30 (1)
Weight, g/mol:	641.34483
ΔH_f, kcal/mol:	-176.59
Dipole, Da:	47.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770129
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;yttrium

Drug info:

PubChemData

Smile

C/C(=C\1/C(=O)N(C(C1=O)(C)C)C)/NCCN/C(=C/2\C(=O)N(C(C2=O)(C)C)C)/C.[Co]

DOS

IR

Vibrations