Geometry & MOs

Info

ID:	333485
PubChem CID:	127252037
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	404.190006
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	2.34
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(4-fluorophenyl)pyridin-3-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCCCC1C2=CN=C(C=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations