Geometry & MOs

Info

ID:	276087
PubChem CID:	103820458
Reduced:	FO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	3.2
IP(EA), eV:	-9.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-hydroxyethyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NCCC2=NOC=N2

DOS

IR

Vibrations