Geometry & MOs

Info

ID:	333479
PubChem CID:	127252031
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	361.15904
ΔH_f, kcal/mol:	39.57
Dipole, Da:	4.49
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CNN=C3)C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations