Geometry & MOs

Info

ID:	368584
PubChem CID:	127329568
Reduced:	FON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-23.69
Dipole, Da:	5.49
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(4-fluoro-2-methylphenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations