Geometry & MOs

Info

ID:	71547
PubChem CID:	48415025
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	7.22
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations