Geometry & MOs

Info

ID:	279870
PubChem CID:	103845444
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	340.15537
ΔH_f, kcal/mol:	-150.01
Dipole, Da:	6.17
IP(EA), eV:	-9.28(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-3-[(3-chlorophenyl)methylamino]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)NCC(C)(C)CCC#N)OC

DOS

IR

Vibrations