Geometry & MOs

Info

ID:

393548

PubChem CID:

135021016

Reduced:

N3O3C17H24 (1)

Stoich.:

A3B3C17D24 (1)

Weight, g/mol:

289.167794

ΔHf, kcal/mol:

-62.25

Dipole, Da:

2.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.776765

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3S,4R)-1-tert-butyl-2-oxo-4-phenylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=O)N(CCC1=CC=CC=C1)C(C)(C)C)\[N+]#N)/O

DOS

IR

Vibrations