Geometry & MOs

Info

ID:	369263
PubChem CID:	127332017
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	369.196489
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	6.99
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

DOS

IR

Vibrations