Geometry & MOs

Info

ID:	81072
PubChem CID:	49854315
Reduced:	SO2N3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	6.86
IP(EA), eV:	-8.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]morpholine

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations