Geometry & MOs

Info

ID:	125055
PubChem CID:	50908253
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-136.29
Dipole, Da:	2.17
IP(EA), eV:	-9.6(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,4R,5S)-2-(4-aminobutyl)-5-pyridin-2-ylpyrrolidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@@H](N[C@@H]1C2=CC=CC=N2)C(=O)OC

DOS

IR

Vibrations