Geometry & MOs

Info

ID:	71650
PubChem CID:	48415157
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	359.140055
ΔH_f, kcal/mol:	16.33
Dipole, Da:	3.29
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations