Geometry & MOs

Info

ID:	318664
PubChem CID:	126652662
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	2.25
IP(EA), eV:	-8.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-3-oxa-9-azatricyclo[3.3.1.02,4]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CC3CC1C([C@H]2O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations