Geometry & MOs

Info

ID:	306045
PubChem CID:	125000896
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	3.98
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4-amino-6-methylpyridin-2-yl)morpholin-4-yl]-(1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C2=CN=CC(=N2)[C@@H]3CCCN3C(=O)COC

DOS

IR

Vibrations