Geometry & MOs

Info

ID:	368591
PubChem CID:	127329589
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	6.03
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2=O)N3CCC(CC3)NC4=NN=CC=C4

DOS

IR

Vibrations