Geometry & MOs

Info

ID:	402738
PubChem CID:	135057088
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-108.43
Dipole, Da:	4.43
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6R,7R)-2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octane-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=C(C1=O)OCCO2

DOS

IR

Vibrations