Geometry & MOs

Info

ID:	276154
PubChem CID:	103820999
Reduced:	FN3O4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-144.84
Dipole, Da:	3.76
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(C=CC=C2F)[N+](=O)[O-]

DOS

IR

Vibrations