Geometry & MOs

Info

ID:	22593
PubChem CID:	597881
Reduced:	RhO2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	281.00487
ΔH_f, kcal/mol:	38.22
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.923053
Charge, e:	-4

Chem-info

IUPAC name:

ethane;2-hydroxycyclohepta-2,4,6-trien-1-one;rhodium

Drug info:

PubChemData

Smile

[CH2-][CH2-].[CH2-][CH2-].C1=CC=C(C(=O)C=C1)O.[Rh]

DOS

IR

Vibrations