Geometry & MOs

Info

ID:	369269
PubChem CID:	127332023
Reduced:	FO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCC(CC3)C4=NC(=NO4)C

DOS

IR

Vibrations