Geometry & MOs

Info

ID:	368583
PubChem CID:	127329567
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	369.196489
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	6.46
IP(EA), eV:	-8.57(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2)NC3=CC(=NC=N3)N4CCCC4CO

DOS

IR

Vibrations