Geometry & MOs

Info

ID:	354961
PubChem CID:	127287822
Reduced:	FN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-161.28
Dipole, Da:	5.5
IP(EA), eV:	-9.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations