Geometry & MOs

Info

ID:	258418
PubChem CID:	103153638
Reduced:	BrNO5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	257.089937
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	4.84
IP(EA), eV:	-10.2(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CN1C(=O)C2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations