Geometry & MOs

Info

ID:	333475
PubChem CID:	127252027
Reduced:	FON2H23C24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	374.179442
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	4.82
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-fluorophenyl)pyridin-3-yl]piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC=CC=C3F)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations