Geometry & MOs

Info

ID:	322372
PubChem CID:	126669936
Reduced:	INOC8H16 (1)
Stoich.:	ABCD8E16 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	2.67
IP(EA), eV:	-9.63(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-6-benzoyloxy-8-azatricyclo[3.2.1.02,4]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C(=O)CN)I

DOS

IR

Vibrations