Geometry & MOs

Info

ID:	48006
PubChem CID:	10536378
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	6.57
IP(EA), eV:	-9.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,4S)-5-oxo-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)NCCC(=O)O

DOS

IR

Vibrations