Geometry & MOs

Info

ID:	276157
PubChem CID:	103821008
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	308.190006
ΔH_f, kcal/mol:	-109.61
Dipole, Da:	3.67
IP(EA), eV:	-9.05(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1S)-1-(3-fluorophenyl)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