Geometry & MOs

Info

ID:	362545
PubChem CID:	127308160
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	58.29
Dipole, Da:	8.81
IP(EA), eV:	-8.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,4-trifluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations