Geometry & MOs

Info

ID:	276161
PubChem CID:	103821017
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	324.160456
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	2.54
IP(EA), eV:	-9.0(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations