Geometry & MOs

Info

ID:	419657
PubChem CID:	135108672
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	6.16
IP(EA), eV:	-8.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-(4-methylsulfonylphenyl)ethylamino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC(=NC4=CC=CC=C43)OC

DOS

IR

Vibrations