Geometry & MOs

Info

ID:	382831
PubChem CID:	134974206
Reduced:	OF3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	308.233802
ΔH_f, kcal/mol:	-218.06
Dipole, Da:	2.25
IP(EA), eV:	-10.44(0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(3-butylimidazol-1-ium-1-yl)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C=CCC[C@@H](CC(O)(F)F)F

DOS

IR

Vibrations