Geometry & MOs

Info

ID:	381702
PubChem CID:	134972508
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	471.277344
ΔH_f, kcal/mol:	-144.05
Dipole, Da:	0.79
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-2-[methoxy(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1=C[C@H](CC=C1C)C(=C)C)C(=O)OCC

DOS

IR

Vibrations