Geometry & MOs

Info

ID:	322715
PubChem CID:	126670871
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	275.128821
ΔH_f, kcal/mol:	-72.73
Dipole, Da:	2.24
IP(EA), eV:	-8.28(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R,5S)-5-(2-chloroacetyl)-2,3-dimethylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CNC=C2C1=CCC(=NN2CC(=O)O)C(=O)C

DOS

IR

Vibrations