Geometry & MOs

Info

ID:	279872
PubChem CID:	103845451
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	3.27
IP(EA), eV:	-9.33(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-3-(benzylamino)-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)NCC2=CC=CC=N2)OC

DOS

IR

Vibrations