Geometry & MOs

Info

ID:	81159
PubChem CID:	49854416
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	288.16602
ΔH_f, kcal/mol:	37.07
Dipole, Da:	0.73
IP(EA), eV:	-8.23(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]thiomorpholine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1C3=CC=C(C=C3)C45CC4CNC5

DOS

IR

Vibrations