Geometry & MOs

Info

ID:	371532
PubChem CID:	127346816
Reduced:	O2F3N4C13H15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	385.097344
ΔH_f, kcal/mol:	-183.5
Dipole, Da:	5.8
IP(EA), eV:	-10.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)N3CCN4C(=NN=C4C(F)(F)F)C3

DOS

IR

Vibrations