Geometry & MOs

Info

ID:	71778
PubChem CID:	48415375
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	51.16
Dipole, Da:	6.42
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C3CCCCCN3C(=N2)C4=CC=CC=C4

DOS

IR

Vibrations