Geometry & MOs

Info

ID:	160659
PubChem CID:	57389353
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	6.0
IP(EA), eV:	-9.55(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCC3=CC=CC=C3

DOS

IR

Vibrations