Geometry & MOs

Info

ID:	305731
PubChem CID:	124967119
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	3.57
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(2-methylpyridin-4-yl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(C[C@H]1C2=CC=C(C=C2)OC)C(=O)CC3=CN=CN3

DOS

IR

Vibrations