Geometry & MOs

Info

ID:	81356
PubChem CID:	49854636
Reduced:	ON2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	8.05
Dipole, Da:	3.27
IP(EA), eV:	-8.26(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCC(CC4)(C5=CC=CC=C5)OCC

DOS

IR

Vibrations