Geometry & MOs

Info

ID:	333483
PubChem CID:	127252035
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	375.174691
ΔH_f, kcal/mol:	61.5
Dipole, Da:	4.12
IP(EA), eV:	-9.04(-0.97)
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-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations