Geometry & MOs

Info

ID:	361925
PubChem CID:	127304921
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	380.153621
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	3.12
IP(EA), eV:	-8.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CNC3=C2C=CC(=C3)F)C(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations