Geometry & MOs

Info

ID:	371554
PubChem CID:	127347118
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	289.115045
ΔH_f, kcal/mol:	28.64
Dipole, Da:	9.23
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN3C4CCC3C5=CC=CC=C45)C#N

DOS

IR

Vibrations