Geometry & MOs

Info

ID:	412023
PubChem CID:	135084886
Reduced:	N2Rh2O3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	367.118233
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	25.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.081685
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-cyclopenta-1,3-dien-1-yl-3-methylbutanamide;carbanide;chlorotitanium(3+)

Drug info:

PubChemData

Smile

C1C[C@@H](C([N-]C1)O)N2C(=O)C3=CC4=CC=CC=C4C=C3C2=O.[Rh].[Rh]

DOS

IR

Vibrations