Geometry & MOs

Info

ID:	318944
PubChem CID:	126653792
Reduced:	ClFN2O3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	329.21147
ΔH_f, kcal/mol:	-198.34
Dipole, Da:	5.95
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-4-fluoro-2-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC(=CC=C2)Cl)F

DOS

IR

Vibrations