Geometry & MOs

Info

ID:	71250
PubChem CID:	48414521
Reduced:	ClON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	15.32
Dipole, Da:	4.83
IP(EA), eV:	-8.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations