Geometry & MOs

Info

ID:	71373
PubChem CID:	48414714
Reduced:	Cl2O2N3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	1.27
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations