Geometry & MOs

Info

ID:	23811
PubChem CID:	606147
Reduced:	NiO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	293.105147
ΔH_f, kcal/mol:	19.37
Dipole, Da:	6.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.860129
Charge, e:	-5

Chem-info

IUPAC name:

4-hydroxypent-3-en-2-one;nickel;1,2,3,4,5-pentamethylcyclopentane

Drug info:

PubChemData

Smile

C[C-]1[C-]([C-]([C-]([C-]1C)C)C)C.CC(=CC(=O)C)O.[Ni]

DOS

IR

Vibrations