Geometry & MOs

Info

ID:	81070
PubChem CID:	49854313
Reduced:	OF3N3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	-126.99
Dipole, Da:	2.66
IP(EA), eV:	-8.52(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)C34CC3CNC4)C(=O)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations