Geometry & MOs

Info

ID:	403090
PubChem CID:	135058684
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	1.13
IP(EA), eV:	-9.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C2=NC3=C(C=C2)C(=O)CCC3

DOS

IR

Vibrations