Geometry & MOs

Info

ID:	425512
PubChem CID:	135126592
Reduced:	OF3N6H17C26 (1)
Stoich.:	AB3C6D17E26 (1)
Weight, g/mol:	290.09906
ΔH_f, kcal/mol:	8.51
Dipole, Da:	8.68
IP(EA), eV:	-8.74(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CC4=C(C=C3)N(C=N4)C5=CNN=C5

DOS

IR

Vibrations