Geometry & MOs

Info

ID:	341155
PubChem CID:	127263590
Reduced:	ClN2O2C9H19 (1)
Stoich.:	AB2C2D9E19 (1)
Weight, g/mol:	267.02702
ΔH_f, kcal/mol:	-138.38
Dipole, Da:	3.93
IP(EA), eV:	-9.44(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-bromo-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CN1)NC(=O)OC(C)(C)C.Cl

DOS

IR

Vibrations