Geometry & MOs

Info

ID:	369273
PubChem CID:	127332027
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	6.75
IP(EA), eV:	-8.85(-0.07)
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-(2-fluoro-5-methylphenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations