Geometry & MOs

Info

ID:	422280
PubChem CID:	135117551
Reduced:	FNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	4.75
IP(EA), eV:	-9.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=C(C=CC(=C3)O)F

DOS

IR

Vibrations