Geometry & MOs

Info

ID:	306201
PubChem CID:	125002582
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	38.17
Dipole, Da:	2.27
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-2-yl-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1CC2=CC=CC=N2)C3=NC=CN=C3

DOS

IR

Vibrations