Geometry & MOs

Info

ID:	411727
PubChem CID:	135084561
Reduced:	CuN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	1386.30241
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	1.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.297194
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2,2-triphenylacetate;rhodium;2,2,2-triphenylacetic acid

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](CC1)N/C=C/2\C(=O)C(=CC=C2)O)N/C=C/3\C(=O)C(=CC=C3)O.[Cu]

DOS

IR

Vibrations