Geometry & MOs

Info

ID:	71339
PubChem CID:	48414653
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-81.05
Dipole, Da:	5.37
IP(EA), eV:	-8.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations