Geometry & MOs

Info

ID:	303908
PubChem CID:	124490858
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	2.08
IP(EA), eV:	-8.14(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(1S)-1-anilinopropyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)NC2=CC=CC=C2

DOS

IR

Vibrations