Geometry & MOs

Info

ID:	303907
PubChem CID:	124490856
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	18.67
Dipole, Da:	1.39
IP(EA), eV:	-9.37(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](/C=C/C1=CC=CC=C1)N

DOS

IR

Vibrations