Geometry & MOs

Info

ID:	371555
PubChem CID:	127347142
Reduced:	OF3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	397.152573
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	8.85
IP(EA), eV:	-9.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CN1CCC(C1=O)N2CCN3C(=NN=C3C(F)(F)F)C2

DOS

IR

Vibrations