Geometry & MOs

Info

ID:	280568
PubChem CID:	103849919
Reduced:	NO4C28H29 (1)
Stoich.:	AB4C28D29 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-122.25
Dipole, Da:	3.93
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(3,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(C)(C4=CC(=CC(=C4)C)C)C(=O)O

DOS

IR

Vibrations