Geometry & MOs

Info

ID:	71488
PubChem CID:	48414950
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-60.75
Dipole, Da:	5.79
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CCC#C)C

DOS

IR

Vibrations