Geometry & MOs

Info

ID:	71671
PubChem CID:	48415180
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-28.59
Dipole, Da:	1.83
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCN(CC1)CCC#C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations