Geometry & MOs

Info

ID:	380361
PubChem CID:	134970785
Reduced:	NRhP2C27H29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	226.03887
ΔH_f, kcal/mol:	25.96
Dipole, Da:	37.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761871
Charge, e:	-1

Chem-info

IUPAC name:

4-tert-butylcyclohexene;yttrium

Drug info:

PubChemData

Smile

CN(C[PH+](C1=CC=CC=C1)C2=CC=CC=C2)C[PH+](C3=CC=CC=C3)C4=CC=CC=C4.[Rh]

DOS

IR

Vibrations