Geometry & MOs

Info

ID:	397679
PubChem CID:	135030568
Reduced:	NC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	259.121986
ΔH_f, kcal/mol:	25.04
Dipole, Da:	1.35
IP(EA), eV:	-8.7(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-5-fluoro-5-formyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[N+]1=[C-]N(C=C1)C

DOS

IR

Vibrations